Geometry & MOs

Info

ID:	142690
PubChem CID:	53077045
Reduced:	SN2O7H20C22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	414.068571
ΔH_f, kcal/mol:	-122.0
Dipole, Da:	6.18
IP(EA), eV:	-8.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-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(=C(C=C4)OC)OC

DOS

IR

Vibrations