Geometry & MOs

Info

ID:	344952
PubChem CID:	127268712
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	329.140927
ΔH_f, kcal/mol:	-200.41
Dipole, Da:	3.66
IP(EA), eV:	-8.64(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[1-(oxan-2-ylmethylsulfonyl)piperidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C=C1)OCCO2)NS(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations