Geometry & MOs

Info

ID:	166307
PubChem CID:	74667827
Reduced:	ClSN3O4C26H28 (1)
Stoich.:	ABC3D4E26F28 (1)
Weight, g/mol:	386.104876
ΔH_f, kcal/mol:	-106.94
Dipole, Da:	5.69
IP(EA), eV:	-8.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(4-oxo-1H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2C3C(NC(NC3=O)SCC4=CC=CC=C4Cl)NC5=C2C(=O)CCC5

DOS

IR

Vibrations