Geometry & MOs

Info

ID:	446078
PubChem CID:	135272215
Reduced:	ClSO2N3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	506.144633
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	3.56
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-(4,6-dimethylpyridin-2-yl)sulfanylphthalazin-1-yl]-2-methylphenyl]sulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)S(=O)(=O)NCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations