Geometry & MOs

Info

ID:	243220
PubChem CID:	99217196
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	4.32
IP(EA), eV:	-8.37(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-bromophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)NCC(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations