Geometry & MOs

Info

ID:	194936
PubChem CID:	78610720
Reduced:	NS2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	410.171596
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	1.98
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,4-dioxophthalazin-2-ium-2-yl)-N-(3,4-dipropoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC3=C(S2)CCCCC3

DOS

IR

Vibrations