Geometry & MOs

Info

ID:

409042

PubChem CID:

135081816

Reduced:

Na4S4N7O16H23C40 (1)

Stoich.:

A4B4C7D16E23F40 (1)

Weight, g/mol:

989.039713

ΔHf, kcal/mol:

-581.07

Dipole, Da:

77.45

IP(EA), eV:

 -7.37(-2.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-7-amino-3-[[(6E)-6-[[(6E)-6-[(8-hydroxy-6-sulfonaphthalen-2-yl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]hydrazinylidene]-5-oxo-7-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/N=C\5/C(=CC6=C(C5=O)C=CC(=C6)N/N=C\7/C(=CC8=C(C7=O)C=CC(=C8)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations