Geometry & MOs

Info

ID:

5799

PubChem CID:

13817

Reduced:

SN3O3H14C17 (2)

Stoich.:

AB3C3D14E17 (2)

Weight, g/mol:

680.151175

ΔHf, kcal/mol:

-52.38

Dipole, Da:

2.93

IP(EA), eV:

 -8.78(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

DOS

IR

Vibrations