Geometry & MOs

Info

ID:	360754
PubChem CID:	127301399
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	4.32
IP(EA), eV:	-9.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations