Geometry & MOs

Info

ID:	159091
PubChem CID:	57260144
Reduced:	SN3O7H10C13 (1)
Stoich.:	AB3C7D10E13 (1)
Weight, g/mol:	353.031771
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	9.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.922750
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-hydroxy-5-nitro-N-sulfinoanilino)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)N(C2=CC(=C(C(=C2)[N+](=O)[O-])O)N)S(=O)[O-]

DOS

IR

Vibrations