Geometry & MOs

Info

ID:

384329

PubChem CID:

134976786

Reduced:

PSeSiN7O13C54H72 (1)

Stoich.:

ABCD7E13F54G72 (1)

Weight, g/mol:

1070.30129

ΔHf, kcal/mol:

-469.34

Dipole, Da:

10.22

IP(EA), eV:

 -8.96(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-5-[[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=[Se])(C)O[C@@H]3[C@H](O[C@H]([C@@H]3OC)N4C=NC5=C4NC(=NC5=O)NCC(C)C)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations