Geometry & MOs

Info

ID:

47511

PubChem CID:

10533638

Reduced:

NCl2O7C18H19 (2)

Stoich.:

AB2C7D18E19 (2)

Weight, g/mol:

867.288059

ΔHf, kcal/mol:

-606.32

Dipole, Da:

3.59

IP(EA), eV:

 -9.63(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,5R)-2-[[2-cyanoethoxy-[(2R,3R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxyphosphanyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl

DOS

IR

Vibrations