Geometry & MOs

Info

ID:	185880
PubChem CID:	77365054
Reduced:	SO8C19H20 (1)
Stoich.:	AB8C19D20 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-278.22
Dipole, Da:	3.25
IP(EA), eV:	-9.94(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-7-(2,2-dimethylpropyl)-4,5-dihydro-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1OC)S(=O)(=O)C)C(=O)C2C(=O)C3CC3C(C2=O)(C)C(=O)O

DOS

IR

Vibrations