Geometry & MOs

Info

ID:	11541
PubChem CID:	117390
Reduced:	S2N3O6C17H17 (1)
Stoich.:	A2B3C6D17E17 (1)
Weight, g/mol:	423.055878
ΔH_f, kcal/mol:	-144.08
Dipole, Da:	0.83
IP(EA), eV:	-8.56(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[[3-oxo-2-[(4-sulfosulfanylphenyl)diazenyl]butanoyl]amino]benzene

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)NC1=CC=C(C=C1)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)O

DOS

IR

Vibrations