Geometry & MOs

Info

ID:	67933
PubChem CID:	46507455
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	470.02122
ΔH_f, kcal/mol:	66.98
Dipole, Da:	4.77
IP(EA), eV:	-8.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=NC(=NO3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations