Geometry & MOs

Info

ID:	196328
PubChem CID:	78812193
Reduced:	SO2N5C18H31 (1)
Stoich.:	AB2C5D18E31 (1)
Weight, g/mol:	352.117155
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	1.69
IP(EA), eV:	-8.56(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)CSC1=NN=C(N1CC(C)C)N2CCOCC2

DOS

IR

Vibrations