Geometry & MOs

Info

ID:	159483
PubChem CID:	57288158
Reduced:	ClSC3O3H4 (1)
Stoich.:	ABC3D3E4 (1)
Weight, g/mol:	178.012222
ΔH_f, kcal/mol:	-63.7
Dipole, Da:	0.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.772673
Charge, e:	0

Chem-info

IUPAC name:

S-(1-oxopropan-2-ylsulfanyl) propanethioate

Drug info:

PubChemData

Smile

C=CC(OS(=O)[O-])Cl

DOS

IR

Vibrations