Geometry & MOs

Info

ID:	235878
PubChem CID:	92710962
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	340.128388
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	6.27
IP(EA), eV:	-8.5(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxo-9-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-2-yl-7H-purine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)C4=CN=C(O4)C5CC5)C

DOS

IR

Vibrations