Geometry & MOs

Info

ID:	134507
PubChem CID:	51708469
Reduced:	BrSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	7.74
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-N-methoxy-2-(2-methoxyphenyl)-N-methyl-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C

DOS

IR

Vibrations