Geometry & MOs

Info

ID:	15517
PubChem CID:	443231
Reduced:	S2O4C5H10 (1)
Stoich.:	A2B4C5D10 (1)
Weight, g/mol:	198.002051
ΔH_f, kcal/mol:	-177.57
Dipole, Da:	5.54
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxopropylsulfanyl)ethanesulfonic acid

Drug info:

PubChemData

Smile

CC(=O)CSCCS(=O)(=O)O

DOS

IR

Vibrations