Geometry & MOs

Info

ID:	8747
PubChem CID:	80918
Reduced:	ClNaSN3O6H13C18 (1)
Stoich.:	ABCD3E6F13G18 (1)
Weight, g/mol:	457.011128
ΔH_f, kcal/mol:	-198.65
Dipole, Da:	5.71
IP(EA), eV:	-8.32(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[(8-acetamido-2-hydroxynaphthalen-1-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)[O-])O.[Na+]

DOS

IR

Vibrations