Geometry & MOs

Info

ID:	11013
PubChem CID:	109832
Reduced:	SO4N6C24H24 (1)
Stoich.:	AB4C6D24E24 (1)
Weight, g/mol:	492.157974
ΔH_f, kcal/mol:	26.78
Dipole, Da:	2.42
IP(EA), eV:	-8.37(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC

DOS

IR

Vibrations