Geometry & MOs

Info

ID:	140197
PubChem CID:	52660524
Reduced:	BrO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	454.140783
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	7.24
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(5-chloropyridin-2-yl)-1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=NC=C(C=C5)Br

DOS

IR

Vibrations