Geometry & MOs

Info

ID:

191226

PubChem CID:

78120220

Reduced:

FNCl2O3H14C15 (1)

Stoich.:

ABC2D3E14F15 (1)

Weight, g/mol:

1119.355441

ΔHf, kcal/mol:

-137.74

Dipole, Da:

1.42

IP(EA), eV:

 -8.8(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxotetracosa-9,12,15,18-tetraenoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=C(N=C2)OC)CO

DOS

IR

Vibrations