Geometry & MOs

Info

ID:	444979
PubChem CID:	135264147
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	473.247855
ΔH_f, kcal/mol:	-205.79
Dipole, Da:	2.15
IP(EA), eV:	-9.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-N-(3-tert-butylphenyl)-2-(3-fluorophenyl)-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CC[C@H]3[C@@H]2C(=O)OC=C3C(=O)OC

DOS

IR

Vibrations