Geometry & MOs

Info

ID:	125551
PubChem CID:	50928294
Reduced:	SO3N4H18C24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	410.13789
ΔH_f, kcal/mol:	64.6
Dipole, Da:	3.33
IP(EA), eV:	-8.55(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C4=NC(=NO4)C5=CC=C(C=C5)SC

DOS

IR

Vibrations