Geometry & MOs

Info

ID:	3368
PubChem CID:	9570
Reduced:	SN4O4C11H14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	298.073576
ΔH_f, kcal/mol:	-107.34
Dipole, Da:	1.23
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations