Geometry & MOs

Info

ID:

160012

PubChem CID:

57304380

Reduced:

NSO4H6C7 (1)

Stoich.:

ABC4D6E7 (1)

Weight, g/mol:

201.009579

ΔHf, kcal/mol:

-113.86

Dipole, Da:

7.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762742

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-sulfinobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C(=O)O)S(=O)[O-]

DOS

IR

Vibrations