Geometry & MOs

Info

ID:	268261
PubChem CID:	103598606
Reduced:	N2O2F3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-176.28
Dipole, Da:	1.16
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC(F)(F)F)NC(=O)C=CC2=CC=NC=C2

DOS

IR

Vibrations