Geometry & MOs

Info

ID:	123358
PubChem CID:	50844146
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	304.051778
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	10.17
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NC(=NO2)CCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations