Geometry & MOs

Info

ID:	301939
PubChem CID:	123101352
Reduced:	NSO4C12H23 (1)
Stoich.:	ABC4D12E23 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-176.13
Dipole, Da:	8.03
IP(EA), eV:	-8.38(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CS(=O)CC(OC)OC

DOS

IR

Vibrations