Geometry & MOs

Info

ID:	368675
PubChem CID:	127329748
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-40.08
Dipole, Da:	11.29
IP(EA), eV:	-9.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)S(=O)(=O)N2CCN3C(=NN=C3C4CC4)C2)OC

DOS

IR

Vibrations