Geometry & MOs

Info

ID:

16216

PubChem CID:

461812

Reduced:

N2Na2S2O7H10C17 (2)

Stoich.:

A2B2C2D7E10F17 (2)

Weight, g/mol:

927.944963

ΔHf, kcal/mol:

-468.28

Dipole, Da:

95.97

IP(EA), eV:

 -6.76(-3.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;4-hydroxy-3-[[4-[2-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations