Geometry & MOs

Info

ID:

179501

PubChem CID:

76490594

Reduced:

SO5C7H7 (1)

Stoich.:

AB5C7D7 (1)

Weight, g/mol:

204.009245

ΔHf, kcal/mol:

-165.28

Dipole, Da:

2.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763187

Charge, e:

 0

Chem-info

IUPAC name:

3-oxo-2-(sulfinomethylidene)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)C(=CS(=O)[O-])C1C(=O)O

DOS

IR

Vibrations