Geometry & MOs

Info

ID:	78328
PubChem CID:	49688252
Reduced:	SN3O5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	344.120607
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	3.52
IP(EA), eV:	-9.66(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations