Geometry & MOs

Info

ID:	125537
PubChem CID:	50928139
Reduced:	ClOSN2H17C22 (1)
Stoich.:	ABCD2E17F22 (1)
Weight, g/mol:	394.142976
ΔH_f, kcal/mol:	58.02
Dipole, Da:	4.9
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=C2N3C=CC=C3)C(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations