Geometry & MOs

Info

ID:	141431
PubChem CID:	52876994
Reduced:	ClN2S2O3C17H23 (1)
Stoich.:	AB2C2D3E17F23 (1)
Weight, g/mol:	349.161326
ΔH_f, kcal/mol:	-130.3
Dipole, Da:	6.29
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-1-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1SCC(=O)N2CCC(CC2)NC3=CC=CC=C3Cl

DOS

IR

Vibrations