Geometry & MOs

Info

ID:	142694
PubChem CID:	53077049
Reduced:	SN3O5H15C19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	412.089306
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	7.48
IP(EA), eV:	-9.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations