Geometry & MOs

Info

ID:	26425
PubChem CID:	647331
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	3.41
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4,4-dimethyl-2,6-dioxocyclohexyl)sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3CCCO3

DOS

IR

Vibrations