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Experimental data for S4N4 (Tetrasulfur tetranitride)

22 02 02 11 45
Other names
1,3,5,7,2,4,6,8-Tetrathia(3,7-SIV)tetrazocine; Sulfur nitride (S4N4); Nitrogen sulfide (N4S4); Tetranitrogen tetrasulfide;
INChI INChIKey SMILES IUPAC name
InChI=1S/N4S4/c1-5-2-7-4-8-3-6-1 LTPQFVPQTZSJGS-UHFFFAOYNA-N [N]1S[N]S[N]S[N]S1
State Conformation
1A1 D2D
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for S4N4 (Tetrasulfur tetranitride).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for S4N4 (Tetrasulfur tetranitride).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Tetrasulfur tetranitride

Point Group D2d


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for S4N4 (Tetrasulfur tetranitride).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N-S 8

Connectivity
Atom 1 Atom 2
N1 S5
N1 S7
N2 S5
N2 S8
N3 S6
N3 S8
N4 S6
N4 S7
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A1
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A1 D2d True           D2d 0 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for S4N4 (Tetrasulfur tetranitride).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A1 D2d True       D2d 0 1

Calculated electric quadrupole moments for S4N4 (Tetrasulfur tetranitride).

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