Geometry & MOs

Info

ID:	139317
PubChem CID:	52508379
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	5.59
IP(EA), eV:	-8.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations