Geometry & MOs

Info

ID:	5696
PubChem CID:	13506
Reduced:	N2Na3S3O10H11C20 (1)
Stoich.:	A2B3C3D10E11F20 (1)
Weight, g/mol:	603.926891
ΔH_f, kcal/mol:	-457.81
Dipole, Da:	5.66
IP(EA), eV:	-8.82(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trisodium;3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations