Geometry & MOs

Info

ID:	214398
PubChem CID:	84981893
Reduced:	ClN2S2O4C13H15 (1)
Stoich.:	AB2C2D4E13F15 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	6.64
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N'-(2-cyclopent-2-en-1-ylacetyl)-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1SCC(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations