Geometry & MOs

Info

ID:	78329
PubChem CID:	49688257
Reduced:	FSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	344.120607
ΔH_f, kcal/mol:	-195.35
Dipole, Da:	5.57
IP(EA), eV:	-9.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations