Geometry & MOs

Info

ID:	437924
PubChem CID:	135227319
Reduced:	OF4N4H16C21 (1)
Stoich.:	AB4C4D16E21 (1)
Weight, g/mol:	309.123718
ΔH_f, kcal/mol:	-144.2
Dipole, Da:	4.33
IP(EA), eV:	-9.34(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-[(6-aminopurin-9-yl)methyl]-4-fluoro-5-(2-hydroxyethyl)cyclopent-2-ene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CN=C(N=C2N1C3=C(C=C(C=C3)O)F)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations