Geometry & MOs

Info

ID:	84205
PubChem CID:	49865031
Reduced:	FO3N5C15H20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	351.170668
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	3.37
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H](O[C@@H]([C@]1(C)F)N2C=NC3=C(N=CN=C32)NC4CC4)CO)O

DOS

IR

Vibrations