Geometry & MOs

Info

ID:

163178

PubChem CID:

57654044

Reduced:

S4N5O14C20H21 (1)

Stoich.:

A4B5C14D20E21 (1)

Weight, g/mol:

561.018172

ΔHf, kcal/mol:

-319.85

Dipole, Da:

9.04

IP(EA), eV:

 -9.16(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-imino-4-oxo-5-[2-[2-sulfo-4-[3-(trioxidanylsulfanyloxy)propyl]phenyl]hydrazinyl]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CN/N=C/1\C(=CC2=C(C=C(C(=C2C1=O)N)N=NC3=C(C=C(C=C3)CCCOSOOO)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations