Geometry & MOs

Info

ID:	140735
PubChem CID:	52748929
Reduced:	ON2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	403.229348
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	2.8
IP(EA), eV:	-8.78(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-N-butyl-6-methyl-1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CC[C@H](N(C1)CC2=CC=CC=C2C)C

DOS

IR

Vibrations