Geometry & MOs

Info

ID:

375728

PubChem CID:

134221084

Reduced:

FN2O5H23C32 (1)

Stoich.:

AB2C5D23E32 (1)

Weight, g/mol:

488.182272

ΔHf, kcal/mol:

-134.58

Dipole, Da:

5.93

IP(EA), eV:

 -9.53(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CF)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)[C@@H](CO)N5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations