Geometry & MOs

Info

ID:	175591
PubChem CID:	75925421
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	435.141676
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	3.31
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-methylphenyl)-5-oxo-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)C(=O)NC2=CC=CC(=C2)CSC3=CC=CC=N3

DOS

IR

Vibrations