Geometry & MOs

Info

ID:	17792
PubChem CID:	519955
Reduced:	SO6H10C14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	306.019809
ΔH_f, kcal/mol:	-186.78
Dipole, Da:	0.97
IP(EA), eV:	-10.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-carboxyphenyl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations