Geometry & MOs

Info

ID:	35482
PubChem CID:	7979932
Reduced:	ClN2O4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	398.104876
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	3.1
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-(4-oxo-4-thiophen-2-ylbutanoyl)phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations