Geometry & MOs

Info

ID:	123344
PubChem CID:	50843579
Reduced:	ClSO3N5C24H26 (1)
Stoich.:	ABC3D5E24F26 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	8.85
IP(EA), eV:	-8.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)-2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)CSC2=NC=CC(=N2)N3CCN(CC3)C4=CC=CC=C4)Cl)OC

DOS

IR

Vibrations