Geometry & MOs

Info

ID:	189082
PubChem CID:	77813523
Reduced:	OC3H5 (8)
Stoich.:	AB3C5 (8)
Weight, g/mol:	459.168873
ΔH_f, kcal/mol:	-372.58
Dipole, Da:	7.95
IP(EA), eV:	-9.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)OC1=C(C(=O)OC1C(CO)O)O)O

DOS

IR

Vibrations