Geometry & MOs

Info

ID:	169597
PubChem CID:	75123356
Reduced:	ClFOSN4C23H24 (1)
Stoich.:	ABCDE4F23G24 (1)
Weight, g/mol:	440.145775
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	3.2
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(1,4-dioxophthalazin-2-ium-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3NN=C(N3C4CCCCC4C2=O)SCC5=C(C=CC=C5Cl)F

DOS

IR

Vibrations