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Experimental data for ClSO (Sulfur chloride oxide)

22 02 02 11 45
Other names
Chlorothionyl;
INChI INChIKey SMILES IUPAC name
InChI=1S/ClOS/c1-3-2 JBZRLVKMCLOFLG-UHFFFAOYSA-N Cl[S]=O
State Conformation
2A" CS
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
1 A' 1163   webbook      

Calculated vibrational frequencies for ClSO (Sulfur chloride oxide).
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 ClSO (Sulfur chloride oxide).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Sulfur chloride oxide

Point Group Cs


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 ClSO (Sulfur chloride oxide).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
S-Cl 1
O=S 1

Connectivity
Atom 1 Atom 2
Cl1 S2
S2 O3
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2A"
Dipole, Quadrupole and Polarizability
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State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole