Geometry & MOs

Info

ID:	2727
PubChem CID:	8409
Reduced:	SO2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	306.002051
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	1.59
IP(EA), eV:	-8.97(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-carboxyphenyl)disulfanyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations