Geometry & MOs

Info

ID:	193310
PubChem CID:	78374310
Reduced:	S2O3N5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	214.025753
ΔH_f, kcal/mol:	-48.46
Dipole, Da:	3.18
IP(EA), eV:	-8.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1,3-dimethyl-8H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N)C

DOS

IR

Vibrations