Geometry & MOs

Info

ID:	226463
PubChem CID:	87457426
Reduced:	SN3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	317.052696
ΔH_f, kcal/mol:	57.3
Dipole, Da:	8.09
IP(EA), eV:	-9.13(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,5R)-3-aminooxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-chloro-3H-purin-6-one

Drug info:

PubChemData

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CCSC#N.CN1C=CN=C1

DOS

IR

Vibrations