Geometry & MOs

Info

ID:	175040
PubChem CID:	75849032
Reduced:	SF3O3N4C18H19 (1)
Stoich.:	AB3C3D4E18F19 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	3.42
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethylideneamino]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC1=NC=C(C=C1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations