Geometry & MOs

Info

ID:	77852
PubChem CID:	49661772
Reduced:	ClSO3N4C23H29 (1)
Stoich.:	ABC3D4E23F29 (1)
Weight, g/mol:	494.155468
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	7.5
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-1-(3-piperidin-1-ylsulfonylpyridin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations