Geometry & MOs

Info

ID:

384882

PubChem CID:

134977859

Reduced:

Si2O11C34H56 (1)

Stoich.:

A2B11C34D56 (1)

Weight, g/mol:

657.161813

ΔHf, kcal/mol:

-525.41

Dipole, Da:

3.93

IP(EA), eV:

 -8.72(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,4S,5R)-4-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)C)OCC[C@H](C#CC#C/C=C/CO)OC(=O)C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations