Geometry & MOs

Info

ID:	77646
PubChem CID:	49658569
Reduced:	ClN2S2O4H15C20 (1)
Stoich.:	AB2C2D4E15F20 (1)
Weight, g/mol:	436.145678
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	3.36
IP(EA), eV:	-8.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-5-[5-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations