Geometry & MOs

Info

ID:

220094

PubChem CID:

85165234

Reduced:

NSi2O6C35H63 (1)

Stoich.:

AB2C6D35E63 (1)

Weight, g/mol:

652.091801

ΔHf, kcal/mol:

-392.7

Dipole, Da:

3.49

IP(EA), eV:

 -9.01(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[[4-acetyloxy-5-(2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)C1C=C2CN(CC34C2(C(C1O)(C(O3)C=C4)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations