Geometry & MOs

Info

ID:	347410
PubChem CID:	127272259
Reduced:	ClSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	4.23
IP(EA), eV:	-9.45(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations