Geometry & MOs

Info

ID:

752

PubChem CID:

3315

Reduced:

S2N3O7H14C17 (2)

Stoich.:

A2B3C7D14E17 (2)

Weight, g/mol:

872.054634

ΔHf, kcal/mol:

-410.92

Dipole, Da:

0.51

IP(EA), eV:

 -9.19(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O

DOS

IR

Vibrations