Geometry & MOs

Info

ID:	36628
PubChem CID:	8010087
Reduced:	NSF2O6C15H17 (1)
Stoich.:	ABC2D6E15F17 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-332.74
Dipole, Da:	5.7
IP(EA), eV:	-9.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-8-(cyclopentylsulfanylmethyl)-7-methylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations