Geometry & MOs

Info

ID:

158882

PubChem CID:

57244136

Reduced:

SO4H7C8 (1)

Stoich.:

AB4C7D8 (1)

Weight, g/mol:

200.01433

ΔHf, kcal/mol:

-119.96

Dipole, Da:

3.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.794547

Charge, e:

 0

Chem-info

IUPAC name:

2-(sulfinomethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)[O-])C(=O)O

DOS

IR

Vibrations