Geometry & MOs

Info

ID:	238642
PubChem CID:	92764517
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	494.133253
ΔH_f, kcal/mol:	1.81
Dipole, Da:	1.08
IP(EA), eV:	-8.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)/C=C\C(=O)C4=CC=CS4)O

DOS

IR

Vibrations