Geometry & MOs

Info

ID:

163185

PubChem CID:

57654174

Reduced:

ClS5N10O15H31C36 (1)

Stoich.:

AB5C10D15E31F36 (1)

Weight, g/mol:

652.98622

ΔHf, kcal/mol:

-115.24

Dipole, Da:

7.71

IP(EA), eV:

 -8.07(-2.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-5-amino-3-(methylhydrazinylidene)-4-oxo-8-(trioxidanylsulfanyl)-6-[[4-[2-(trioxidanylsulfanyloxy)ethylsulfonyl]phenyl]diazenyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=C4C=C(/C(=N/NC5=CC=C(C=C5)S(=O)(=O)CCOSOOO)/C(=O)C4=C3N)SOOO)S(=O)(=O)O)N=NC6=CC(=C(C=C6N)N)Cl

DOS

IR

Vibrations