Geometry & MOs

Info

ID:	132912
PubChem CID:	51445041
Reduced:	N2O3H9C10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	475.129884
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	9.09
IP(EA), eV:	-9.55(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-ethyl-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations