Geometry & MOs

Info

ID:	301942
PubChem CID:	123101392
Reduced:	FNSO2C10H18 (1)
Stoich.:	ABCD2E10F18 (1)
Weight, g/mol:	375.03039
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	3.08
IP(EA), eV:	-8.78(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methylsulfinyl]-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CS(=O)CCF

DOS

IR

Vibrations