Geometry & MOs

Info

ID:

309925

PubChem CID:

126567650

Reduced:

P2N10O13C20H24 (1)

Stoich.:

A2B10C13D20E24 (1)

Weight, g/mol:

1206.310994

ΔHf, kcal/mol:

-404.0

Dipole, Da:

20.61

IP(EA), eV:

 -8.45(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphinothioyl]oxymethyl]-4-fluoro-2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

C1C2=C(C(=O)/C(=C\3/C4C([C@@H](NCN4)N)NN3)/O2)O[P+](O/C=C/5\[C@H](C(=C(O5)N6C=NC7=C6NC(=NC7=O)N)O[P+](O1)(O)O)O)(O)O

DOS

IR

Vibrations