Geometry & MOs

Info

ID:	58238
PubChem CID:	24434841
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	31.49
Dipole, Da:	3.46
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C\1CSC/C1=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations