Geometry & MOs

Info

ID:	123359
PubChem CID:	50844147
Reduced:	SN2O4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	379.099063
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	6.94
IP(EA), eV:	-9.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCC2=NOC(=N2)C3=CC=CO3

DOS

IR

Vibrations