Geometry & MOs

Info

ID:	178084
PubChem CID:	76274821
Reduced:	FSN4O4C20H31 (1)
Stoich.:	ABC4D4E20F31 (1)
Weight, g/mol:	449.134004
ΔH_f, kcal/mol:	-202.61
Dipole, Da:	3.97
IP(EA), eV:	-8.89(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCN(CC1)CC(=O)N(C)C)NS(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations