Geometry & MOs

Info

ID:	67925
PubChem CID:	46507438
Reduced:	FSN2O2H21C22 (1)
Stoich.:	ABC2D2E21F22 (1)
Weight, g/mol:	392.110711
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	4.03
IP(EA), eV:	-8.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations