Geometry & MOs

Info

ID:	84234
PubChem CID:	49865084
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	351.170668
ΔH_f, kcal/mol:	26.79
Dipole, Da:	2.67
IP(EA), eV:	-8.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-5-[6-(cyclopropylmethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-3,4-dimethyloxolan-3-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=N2)CC4=CC5=C(C=C4)C=NN5

DOS

IR

Vibrations