Geometry & MOs

Info

ID:	364957
PubChem CID:	127316607
Reduced:	ClSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	3.28
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C2CCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations