Geometry & MOs

Info

ID:

384888

PubChem CID:

134977871

Reduced:

PSSiN5O12C54H64 (1)

Stoich.:

ABCD5E12F54G64 (1)

Weight, g/mol:

1057.420441

ΔHf, kcal/mol:

-515.35

Dipole, Da:

4.33

IP(EA), eV:

 -8.76(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]oxolan-2-yl]methoxy-methylphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

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=CC(=NC7=O)NC(=O)C8=CC=CC=C8)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations