Geometry & MOs

Info

ID:

45219

PubChem CID:

10509633

Reduced:

IO6F17H18C21 (1)

Stoich.:

AB6C17D18E21 (1)

Weight, g/mol:

816.349931

ΔHf, kcal/mol:

-1104.43

Dipole, Da:

4.77

IP(EA), eV:

 -10.27(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S)-3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]2[C@@H](CO[C@H]2O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)OC(=O)C

DOS

IR

Vibrations