Geometry & MOs

Info

ID:	245477
PubChem CID:	99445160
Reduced:	SCl2N2O3H10C14 (1)
Stoich.:	AB2C2D3E10F14 (1)
Weight, g/mol:	355.978919
ΔH_f, kcal/mol:	3.85
Dipole, Da:	3.33
IP(EA), eV:	-8.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(S)-(2,6-dichlorophenyl)methylsulfinyl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C[S@@](=O)CC2=NC(=NO2)C3=CC=CO3)Cl

DOS

IR

Vibrations