Geometry & MOs

Info

ID:

376693

PubChem CID:

134222716

Reduced:

FPSN5O6C22H34 (1)

Stoich.:

ABCD5E6F22G34 (1)

Weight, g/mol:

388.118609

ΔHf, kcal/mol:

-289.48

Dipole, Da:

2.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764024

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)N(C)C)N=CN2[C@H]3[C@]([C@@H]([C@H](O3)COC)O[P+](=O)OCCSC(=O)C(C)(C)C)(C)F

DOS

IR

Vibrations