Geometry & MOs

Info

ID:	388970
PubChem CID:	134990779
Reduced:	Cl2N4O9H10C11 (1)
Stoich.:	A2B4C9D10E11 (1)
Weight, g/mol:	350.15902
ΔH_f, kcal/mol:	-101.0
Dipole, Da:	3.39
IP(EA), eV:	-11.07(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H]([C@@H](CO[N+](=O)[O-])NC(=O)C(Cl)Cl)O[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations