Geometry & MOs

Info

ID:

384145

PubChem CID:

134976423

Reduced:

PSSiN10O10C56H75 (1)

Stoich.:

ABCD10E10F56G75 (1)

Weight, g/mol:

1197.35472

ΔHf, kcal/mol:

-375.41

Dipole, Da:

17.09

IP(EA), eV:

 -8.71(-0.57)

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-methylphosphinoselenoyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyoxolan-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)COP(=S)(C)O[C@H]4C[C@@H](O[C@@H]4COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)N8C=NC9=C8NC(=NC9=O)NCC(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations