Geometry & MOs

Info

ID:	10060
PubChem CID:	96605
Reduced:	SO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	352.193297
ΔH_f, kcal/mol:	-92.14
Dipole, Da:	4.74
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-decylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations