Geometry & MOs

Info

ID:

7479

PubChem CID:

73032

Reduced:

S5N6O15H24C32 (1)

Stoich.:

A5B6C15D24E32 (1)

Weight, g/mol:

891.99032

ΔHf, kcal/mol:

-406.94

Dipole, Da:

8.23

IP(EA), eV:

 -9.12(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[4-[4-[(2-amino-3,6-disulfonaphthalen-1-yl)diazenyl]-3-sulfophenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations