Geometry & MOs

Info

ID:	242912
PubChem CID:	99214124
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	461.21147
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	5.01
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC(=NO1)C2=CC=CC=C2)NC(=O)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations