Geometry & MOs

Info

ID:	11517
PubChem CID:	117125
Reduced:	SO4N5H13C18 (1)
Stoich.:	AB4C5D13E18 (1)
Weight, g/mol:	395.068825
ΔH_f, kcal/mol:	58.64
Dipole, Da:	18.49
IP(EA), eV:	-8.98(-3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-acetamidophenyl)diazenyl]-5-diazonionaphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)[N+]#N)S(=O)(=O)[O-]

DOS

IR

Vibrations