Geometry & MOs

Info

ID:	142695
PubChem CID:	53077068
Reduced:	FSN2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	3.75
IP(EA), eV:	-9.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C3=NC(=NO3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations