Geometry & MOs

Info

ID:

449930

PubChem CID:

135302655

Reduced:

O2C13H22 (2)

Stoich.:

A2B13C22 (2)

Weight, g/mol:

1054.347987

ΔHf, kcal/mol:

-258.99

Dipole, Da:

1.44

IP(EA), eV:

 -9.78(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[hydroxy-[[4-hydroxy-5-[6-[6-[13-[6-[2-(2-methoxyethoxy)ethylamino]-6-oxohexanoyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),7,9,11,15,17-hexaen-5-yl]hexylamino]purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2(C3CC[C@]4(C([C@@H]3[C@@H]1O)CCC4[C@H](C)CCC(=O)O)C)C)O

DOS

IR

Vibrations