Geometry & MOs

Info

ID:	30161
PubChem CID:	840400
Reduced:	SN4O4C11H14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	240.068097
ΔH_f, kcal/mol:	-148.86
Dipole, Da:	4.1
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

DOS

IR

Vibrations