Geometry & MOs

Info

ID:	245476
PubChem CID:	99445159
Reduced:	ClFN2O2S2H10C14 (1)
Stoich.:	ABC2D2E2F10G14 (1)
Weight, g/mol:	355.978919
ΔH_f, kcal/mol:	1.97
Dipole, Da:	3.97
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(R)-(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=CSC=C3)F

DOS

IR

Vibrations