Geometry & MOs

Info

ID:

409039

PubChem CID:

135081813

Reduced:

S2N3O8H15C20 (1)

Stoich.:

A2B3C8D15E20 (1)

Weight, g/mol:

804.980717

ΔHf, kcal/mol:

-212.68

Dipole, Da:

13.02

IP(EA), eV:

 -9.03(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;(3E)-7-amino-3-[[(6E)-6-[(8-hydroxy-6-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)S(=O)(=O)O

DOS

IR

Vibrations