Geometry & MOs

Info

ID:

318566

PubChem CID:

126651904

Reduced:

FO3N6H17C21 (1)

Stoich.:

AB3C6D17E21 (1)

Weight, g/mol:

881.099216

ΔHf, kcal/mol:

7.09

Dipole, Da:

5.25

IP(EA), eV:

 -8.92(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-amino-8-oxo-7-(phenylhydrazinylidene)-4-sulfonaphthalen-2-yl]diazenyl]-5-oxo-6-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,7-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2CN(C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4N5C=CN=N5)F

DOS

IR

Vibrations