Geometry & MOs

Info

ID:	143026
PubChem CID:	53134935
Reduced:	ClS2N3O4H12C15 (1)
Stoich.:	AB2C3D4E12F15 (1)
Weight, g/mol:	376.117155
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	3.64
IP(EA), eV:	-8.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CS2)C3=NNC(=O)C=C3)Cl

DOS

IR

Vibrations