Geometry & MOs

Info

ID:	322231
PubChem CID:	126669302
Reduced:	ClN2O2F3C22H22 (1)
Stoich.:	AB2C2D3E22F22 (1)
Weight, g/mol:	516.278821
ΔH_f, kcal/mol:	-235.29
Dipole, Da:	3.49
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-tert-butylphenyl)-1-(2,6-dimethylbenzoyl)-2-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations