Geometry & MOs

Info

ID:	77785
PubChem CID:	49661490
Reduced:	ClFO3N4H12C19 (1)
Stoich.:	ABC3D4E12F19 (1)
Weight, g/mol:	408.071468
ΔH_f, kcal/mol:	7.68
Dipole, Da:	11.68
IP(EA), eV:	-9.42(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations