Geometry & MOs

Info

ID:

11023

PubChem CID:

110035

Reduced:

S4N7O13H27C40 (1)

Stoich.:

A4B7C13D27E40 (1)

Weight, g/mol:

941.054969

ΔHf, kcal/mol:

-225.06

Dipole, Da:

23.43

IP(EA), eV:

 -8.92(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-amino-4-hydroxy-3-[[6-sulfo-4-[[6-sulfo-4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N=NC7=C(C=C8C=C(C=CC8=C7O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations