Geometry & MOs

Info

ID:

169055

PubChem CID:

75059459

Reduced:

Na2S2O7N9H25C34 (1)

Stoich.:

A2B2C7D9E25F34 (1)

Weight, g/mol:

737.147487

ΔHf, kcal/mol:

-140.74

Dipole, Da:

16.08

IP(EA), eV:

 -8.33(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[[4-[4-[(3,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations