Geometry & MOs

Info

ID:	141066
PubChem CID:	52812520
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	365.064569
ΔH_f, kcal/mol:	41.23
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC#N)C(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations