Geometry & MOs

Info

ID:	322286
PubChem CID:	126669598
Reduced:	FN3O5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	489.218305
ΔH_f, kcal/mol:	-205.5
Dipole, Da:	7.78
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)[C@@H]1CN(C(=O)[C@H]1NC(=O)NC2=CC=C(C=C2)F)C(C)C(=O)O)/OC

DOS

IR

Vibrations