Geometry & MOs

Info

ID:	168856
PubChem CID:	75028709
Reduced:	N5O6C15H23 (1)
Stoich.:	A5B6C15D23 (1)
Weight, g/mol:	298.073576
ΔH_f, kcal/mol:	-199.26
Dipole, Da:	2.06
IP(EA), eV:	-9.38(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-(sulfanylmethyl)purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CN(CCO)CCO

DOS

IR

Vibrations