Geometry & MOs

Info

ID:	161477
PubChem CID:	57391769
Reduced:	OCl2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	547.170589
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	1.39
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations