Geometry & MOs

Info

ID:	347465
PubChem CID:	127272314
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	5.78
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-1-phenylpyrrolidin-3-yl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CNC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)Cl)OC1

DOS

IR

Vibrations