Geometry & MOs

Info

ID:	8656
PubChem CID:	79933
Reduced:	SN5O8H13C19 (1)
Stoich.:	AB5C8D13E19 (1)
Weight, g/mol:	471.048484
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	2.95
IP(EA), eV:	-10.06(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=NC2=CC(=CC(=C2O)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations