Geometry & MOs

Info

ID:	409038
PubChem CID:	135081812
Reduced:	Na2S2N3O8H13C20 (1)
Stoich.:	A2B2C3D8E13F20 (1)
Weight, g/mol:	489.030057
ΔH_f, kcal/mol:	-307.13
Dipole, Da:	5.78
IP(EA), eV:	-7.78(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-7-amino-3-[(8-hydroxy-6-sulfonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)N)S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations