Geometry & MOs

Info

ID:	31805
PubChem CID:	3719427
Reduced:	SCl2N2O2C12H18 (1)
Stoich.:	AB2C2D2E12F18 (1)
Weight, g/mol:	407.175753
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	4.8
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[benzyl(methyl)amino]-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN(CC)CCNS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations