Geometry & MOs

Info

ID:	142691
PubChem CID:	53077046
Reduced:	FSN2O5H15C20 (1)
Stoich.:	ABC2D5E15F20 (1)
Weight, g/mol:	414.068571
ΔH_f, kcal/mol:	-95.26
Dipole, Da:	5.17
IP(EA), eV:	-9.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-5-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-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=C4)F

DOS

IR

Vibrations