Geometry & MOs

Info

ID:	28279
PubChem CID:	826764
Reduced:	SO4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	274.02998
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	7.13
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-carboxyphenyl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations