Geometry & MOs

Info

ID:	123371
PubChem CID:	50844311
Reduced:	FSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	304.051778
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	6.78
IP(EA), eV:	-10.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzenesulfonyl)ethyl]-5-(furan-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCC2=NOC(=N2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations