Geometry & MOs

Info

ID:

384220

PubChem CID:

134976557

Reduced:

PSeSiN7O11C52H68 (1)

Stoich.:

ABCD7E11F52G68 (1)

Weight, g/mol:

1218.40267

ΔHf, kcal/mol:

-413.02

Dipole, Da:

6.33

IP(EA), eV:

 -8.84(-0.69)

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-[2-(2-methylpropylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=[Se])(C)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=NC8=C7NC(=NC8=O)NCC(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations