Geometry & MOs

Info

ID:	123360
PubChem CID:	50844148
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	15.53
Dipole, Da:	3.3
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methoxypyridin-3-yl)-3-[2-(4-methylphenyl)sulfonylethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NOC(=N2)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations