Geometry & MOs

Info

ID:	301938
PubChem CID:	123101351
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	277.134779
ΔH_f, kcal/mol:	-172.5
Dipole, Da:	5.25
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethoxyethylsulfinyl)-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CS(=O)CC(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations