Geometry & MOs

Info

ID:	360120
PubChem CID:	127300505
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	6.77
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1-phenylpyrrolidin-3-yl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C#N)F)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations