Geometry & MOs

Info

ID:	84204
PubChem CID:	49865030
Reduced:	F2N5O5H27C28 (1)
Stoich.:	A2B5C5D27E28 (1)
Weight, g/mol:	337.155018
ΔH_f, kcal/mol:	-203.29
Dipole, Da:	3.74
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)O[C@]1([C@H](O[C@@H]([C@]1(C)F)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)F)COC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations