Geometry & MOs

Info

ID:	153340
PubChem CID:	56312523
Reduced:	ClNOSC17H20 (1)
Stoich.:	ABCDE17F20 (1)
Weight, g/mol:	414.09429
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	4.81
IP(EA), eV:	-9.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-5-oxo-N-(3-phenylbutyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCC1=CC=C(S1)Cl)C2=CC=CC=C2

DOS

IR

Vibrations