Geometry & MOs

Info

ID:	154686
PubChem CID:	56314178
Reduced:	FSN2O3C21H27 (1)
Stoich.:	ABC2D3E21F27 (1)
Weight, g/mol:	470.124248
ΔH_f, kcal/mol:	-152.43
Dipole, Da:	5.72
IP(EA), eV:	-9.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)C)C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations