Geometry & MOs

Info

ID:	84236
PubChem CID:	49865088
Reduced:	FO3N6C17H25 (1)
Stoich.:	AB3C6D17E25 (1)
Weight, g/mol:	405.161246
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	3.37
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-4-fluoro-5-[6-[(4-fluorophenyl)methylamino]purin-9-yl]-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=C2N=CN=C3N4CCN(CC4)C)CO)O

DOS

IR

Vibrations