Geometry & MOs

Info

ID:	56467
PubChem CID:	17435739
Reduced:	FNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	360.069927
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	0.85
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=C2)/C=C/C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations