Geometry & MOs

Info

ID:	79846
PubChem CID:	49830802
Reduced:	FN3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	463.131425
ΔH_f, kcal/mol:	42.46
Dipole, Da:	6.95
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminoethylsulfamoyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1N=C(C=C2)C3=C(N=C4N3CCC4)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations