Geometry & MOs

Info

ID:	169053
PubChem CID:	75059434
Reduced:	SO8C21H26 (1)
Stoich.:	AB8C21D26 (1)
Weight, g/mol:	345.131128
ΔH_f, kcal/mol:	-318.06
Dipole, Da:	3.45
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-[hydroxy(pyridin-1-ium-1-yl)methyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OCC=C)OC(=O)C

DOS

IR

Vibrations