Geometry & MOs

Info

ID:	125994
PubChem CID:	50947775
Reduced:	FSO2N6C18H19 (1)
Stoich.:	ABC2D6E18F19 (1)
Weight, g/mol:	331.192963
ΔH_f, kcal/mol:	-14.64
Dipole, Da:	5.48
IP(EA), eV:	-8.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)N4C=CC=N4

DOS

IR

Vibrations