Geometry & MOs

Info

ID:

384889

PubChem CID:

134977872

Reduced:

PSSiN7O11C52H68 (1)

Stoich.:

ABCD7E11F52G68 (1)

Weight, g/mol:

1065.377907

ΔHf, kcal/mol:

-477.02

Dipole, Da:

16.0

IP(EA), eV:

 -8.6(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphinothioyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(C)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7NC(=NC8=O)NCC(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations