Geometry & MOs

Info

ID:	62477
PubChem CID:	26719772
Reduced:	FSN4O5C22H27 (1)
Stoich.:	ABC4D5E22F27 (1)
Weight, g/mol:	332.072784
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	10.78
IP(EA), eV:	-9.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-chlorophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations