Geometry & MOs

Info

ID:

189860

PubChem CID:

77916164

Reduced:

N2P3C48O49H85 (1)

Stoich.:

A2B3C48D49E85 (1)

Weight, g/mol:

1065.30849

ΔHf, kcal/mol:

-2391.47

Dipole, Da:

6.11

IP(EA), eV:

 -10.48(-0.83)

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-oxoicosa-8,11,14-trienoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

C1C(C(C(OC1(C(=O)O)OC2CC(OC(C2OC3C(C(C(C(O3)C(CO)O)OP(=O)(O)O)OC4C(C(C(C(O4)C(CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)C(CO)O)(C(=O)O)OCC6C(C(C(C(O6)OCC7C(C(C(C(O7)OP(=O)(O)O)N)O)O)N)O)OP(=O)(O)O)C(CO)O)O)O

DOS

IR

Vibrations