Geometry & MOs

Info

ID:	143666
PubChem CID:	53246366
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	-38.82
Dipole, Da:	5.71
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-1-(benzenesulfonyl)-N-[1-(6-methylpyridin-2-yl)ethyl]-6-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)[C@@H]2CC[C@@H](N(C2)S(=O)(=O)C3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations