Geometry & MOs

Info

ID:	195984
PubChem CID:	78759421
Reduced:	FSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	281.124964
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	3.52
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CSC2=CC=CC=C2F)C(=O)OC

DOS

IR

Vibrations