Geometry & MOs

Info

ID:	176886
PubChem CID:	76108057
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	284.057926
ΔH_f, kcal/mol:	44.61
Dipole, Da:	4.18
IP(EA), eV:	-7.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-purin-9-yl-5-(sulfanyloxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N1C=C2CC3C(=CC(CN3C)C)C4=C2C1=CC=C4

DOS

IR

Vibrations