Geometry & MOs

Info

ID:	7034
PubChem CID:	71025
Reduced:	SO6H8C9 (1)
Stoich.:	AB6C8D9 (1)
Weight, g/mol:	244.004159
ΔH_f, kcal/mol:	-227.87
Dipole, Da:	10.01
IP(EA), eV:	-11.07(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxymethylsulfonyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC(=O)O

DOS

IR

Vibrations