Geometry & MOs

Info

ID:	274682
PubChem CID:	103810987
Reduced:	BrClON3H7C13 (1)
Stoich.:	ABCD3E7F13 (1)
Weight, g/mol:	272.002241
ΔH_f, kcal/mol:	38.81
Dipole, Da:	4.97
IP(EA), eV:	-9.62(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-2-methylsulfonylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Cl)NC(=O)C2=CN=C(C=C2)Br

DOS

IR

Vibrations