Geometry & MOs

Info

ID:

409041

PubChem CID:

135081815

Reduced:

S3N5O12H21C30 (1)

Stoich.:

A3B5C12D21E30 (1)

Weight, g/mol:

1076.96749

ΔHf, kcal/mol:

-301.36

Dipole, Da:

16.81

IP(EA), eV:

 -8.85(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;(3E)-7-amino-3-[[(6E)-6-[[(6E)-6-[(8-hydroxy-6-sulfonatonaphthalen-2-yl)hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate

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)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations