Geometry & MOs

Info

ID:	209714
PubChem CID:	80707772
Reduced:	SO2N5H9C10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	288.03017
ΔH_f, kcal/mol:	40.18
Dipole, Da:	4.98
IP(EA), eV:	-9.93(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(2-nitrophenyl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

CN1C(=NC=N1)NS(=O)(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations