Geometry & MOs

Info

ID:	12287
PubChem CID:	134197
Reduced:	S2O9H10C13 (1)
Stoich.:	A2B9C10D13 (1)
Weight, g/mol:	373.976624
ΔH_f, kcal/mol:	-325.72
Dipole, Da:	5.64
IP(EA), eV:	-9.44(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-3-sulfophenoxy)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O

DOS

IR

Vibrations