Geometry & MOs

Info

ID:

11002

PubChem CID:

109784

Reduced:

S2Cl3N5O7H16C22 (1)

Stoich.:

A2B3C5D7E16F22 (1)

Weight, g/mol:

630.955673

ΔHf, kcal/mol:

-158.89

Dipole, Da:

8.31

IP(EA), eV:

 -9.44(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2,5-dimethyl-4-sulfophenyl)diazenyl]-4-hydroxy-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)O)C)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=C(C(=NC(=N4)Cl)Cl)Cl)S(=O)(=O)O

DOS

IR

Vibrations