Geometry & MOs

Info

ID:	189748
PubChem CID:	77899018
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	12.14
IP(EA), eV:	-9.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-methylpiperidin-4-yl)-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(C3C2CS(=O)(=O)C3)C(=O)C4=CSC=N4

DOS

IR

Vibrations