Geometry & MOs

Info

ID:	77787
PubChem CID:	49661498
Reduced:	FSO2N4H13C19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	446.066046
ΔH_f, kcal/mol:	57.34
Dipole, Da:	10.23
IP(EA), eV:	-9.2(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations