Geometry & MOs

Info

ID:	37179
PubChem CID:	8017926
Reduced:	Cl2O3N5C17H17 (1)
Stoich.:	A2B3C5D17E17 (1)
Weight, g/mol:	343.068346
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	3.12
IP(EA), eV:	-9.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations