Geometry & MOs

Info

ID:

384219

PubChem CID:

134976554

Reduced:

PSeSiN7O11C55H64 (1)

Stoich.:

ABCD7E11F55G64 (1)

Weight, g/mol:

1105.36489

ΔHf, kcal/mol:

-354.8

Dipole, Da:

8.83

IP(EA), eV:

 -8.68(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]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(=[Se])(C)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C(N=CN=C87)NC(=O)C9=CC=CC=C9)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations