Geometry & MOs

Info

ID:	175593
PubChem CID:	75925423
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	439.116604
ΔH_f, kcal/mol:	-50.66
Dipole, Da:	4.17
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CCC(=O)NC2=CC=CC(=C2)CSC3=CC=CC=N3

DOS

IR

Vibrations