Geometry & MOs

Info

ID:

191426

PubChem CID:

78145403

Reduced:

ClFO2N4C24H24 (1)

Stoich.:

ABC2D4E24F24 (1)

Weight, g/mol:

1027.329226

ΔHf, kcal/mol:

10.6

Dipole, Da:

4.7

IP(EA), eV:

 -8.55(-2.92)

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-[[3-(2-octadec-6-enoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C2C=CC(=C3C=C(C(=O)C(=C3)Cl)F)N=C2C1=NC4CCC(CC4)N(C)C

DOS

IR

Vibrations