Geometry & MOs

Info

ID:

45198

PubChem CID:

10509133

Reduced:

O7C19H24 (2)

Stoich.:

A7B19C24 (2)

Weight, g/mol:

733.293716

ΔHf, kcal/mol:

-574.06

Dipole, Da:

10.05

IP(EA), eV:

 -9.65(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-oxo-sulfidophosphanium;triethylazanium

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)O[C@@H]1[C@@]2([C@H](C3=C4[C@H](C(=O)O[C@H]([C@@]4(CC[C@@H]3[C@@](C2=O)([C@H](C1(C)C)[C@@H](C(=O)OC)O)C)C)C5=COC=C5)OC(=O)C)OC(=O)C(C)C)O

DOS

IR

Vibrations