Geometry & MOs

Info

ID:

384892

PubChem CID:

134977885

Reduced:

PSSiN4O14C50H65 (1)

Stoich.:

ABCD4E14F50G65 (1)

Weight, g/mol:

1149.41027

ΔHf, kcal/mol:

-637.22

Dipole, Da:

6.96

IP(EA), eV:

 -8.9(-0.51)

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]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-methylphosphinothioyl]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)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(C)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=C(C(=O)NC7=O)C)OC)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations