Geometry & MOs

Info

ID:

163177

PubChem CID:

57654004

Reduced:

S4N5O13C20H21 (1)

Stoich.:

A4B5C13D20E21 (1)

Weight, g/mol:

682.996785

ΔHf, kcal/mol:

-151.32

Dipole, Da:

4.94

IP(EA), eV:

 -8.82(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-4-amino-6-(methylhydrazinylidene)-5-oxo-3-[[2-sulfo-4-[3-(trioxidanylsulfanyloxy)propyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid

Drug info:

PubChemData

Smile

CN=NC1=CC(=C2C=C(/C(=N\NC3=C(C=C(C=C3)CCCOSOOO)S(=O)(=O)O)/C(=O)C2=C1N)SOOO)S(=O)O

DOS

IR

Vibrations