Geometry & MOs

Info

ID:	123160
PubChem CID:	50835815
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	6.46
IP(EA), eV:	-8.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NC(=CO3)C4=CC=CC=C4

DOS

IR

Vibrations