Geometry & MOs

Info

ID:

384218

PubChem CID:

134976552

Reduced:

PSeSiN8O11C58H71 (1)

Stoich.:

ABCD8E11F58G71 (1)

Weight, g/mol:

1137.33359

ΔHf, kcal/mol:

-342.37

Dipole, Da:

7.35

IP(EA), eV:

 -8.5(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]purin-6-yl]benzamide

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=CC(=NC8=O)NC(=O)C9=CC=CC=C9)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations