Geometry & MOs

Info

ID:	54882
PubChem CID:	17389476
Reduced:	N5H7O8C13 (1)
Stoich.:	A5B7C8D13 (1)
Weight, g/mol:	467.031102
ΔH_f, kcal/mol:	-2.85
Dipole, Da:	6.05
IP(EA), eV:	-9.91(-3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=O)C(=CC1=NC2=C(C=C(C3=C2NON3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations