Geometry & MOs

Info

ID:

384221

PubChem CID:

134976558

Reduced:

PSeSiN10O10C59H71 (1)

Stoich.:

ABCD10E10F59G71 (1)

Weight, g/mol:

1010.28016

ΔHf, kcal/mol:

-259.53

Dipole, Da:

5.29

IP(EA), eV:

 -8.71(-0.99)

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-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=[Se])(C)OC[C@@H]7[C@H](C[C@@H](O7)N8C=NC9=C(N=CN=C98)NC(=O)C1=CC=CC=C1)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations