Geometry & MOs

Info

ID:	77786
PubChem CID:	49661494
Reduced:	OSN2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	380.074325
ΔH_f, kcal/mol:	100.63
Dipole, Da:	7.93
IP(EA), eV:	-8.46(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylsulfanylphenyl)pyridazin-4-one

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC(=CC=C4)SC

DOS

IR

Vibrations