Geometry & MOs

Info

ID:	360762
PubChem CID:	127301407
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	2.2
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(4-methylpiperidin-1-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)NCCC2=CCCCC2

DOS

IR

Vibrations