Geometry & MOs

Info

ID:	163417
PubChem CID:	57939353
Reduced:	FINOH15C18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	640.192053
ΔH_f, kcal/mol:	-8.4
Dipole, Da:	3.19
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-[(4-nitrobenzoyl)amino]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C2=C1N=CC=C2)C3=CC=CC=C3F)I

DOS

IR

Vibrations