Geometry & MOs

Info

ID:	10061
PubChem CID:	96608
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	5.77
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-octylsulfanylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

DOS

IR

Vibrations