Geometry & MOs

Info

ID:	302906
PubChem CID:	124403640
Reduced:	ClN3O3H22C28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	404.111455
ΔH_f, kcal/mol:	17.58
Dipole, Da:	18.7
IP(EA), eV:	-8.1(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

COC(=O)[C@@]1([C@@H]([C@@H](N2[C@@H]1C3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5)C#N

DOS

IR

Vibrations