Geometry & MOs

Info

ID:	10087
PubChem CID:	96982
Reduced:	OS2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	312.107854
ΔH_f, kcal/mol:	-1.72
Dipole, Da:	3.47
IP(EA), eV:	-8.37(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hexylsulfanyl-1,3-dimethyl-6-sulfanylpurin-2-one

Drug info:

PubChemData

Smile

CCCCCCSC1=NC2=C(N(C(=O)N(C2=N1)C)C)S

DOS

IR

Vibrations