Geometry & MOs

Info

ID:

384891

PubChem CID:

134977875

Reduced:

PSSiN8O11C61H67 (1)

Stoich.:

ABCD8E11F61G67 (1)

Weight, g/mol:

1036.372488

ΔHf, kcal/mol:

-370.95

Dipole, Da:

13.0

IP(EA), eV:

 -8.68(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinothioyl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(C)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=CC(=NC6=O)NC(=O)C7=CC=CC=C7)N8C=NC9=C(N=CN=C98)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations