Geometry & MOs

Info

ID:

384330

PubChem CID:

134976788

Reduced:

PSeSiN4O14C49H63 (1)

Stoich.:

ABCD4E14F49G63 (1)

Weight, g/mol:

1183.33907

ΔHf, kcal/mol:

-554.06

Dipole, Da:

3.85

IP(EA), eV:

 -8.85(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(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]purin-6-yl]benzamide

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=CC(=O)NC4=O)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations