Geometry & MOs

Info

ID:

215680

PubChem CID:

85085073

Reduced:

ClN9O10C65H72 (1)

Stoich.:

AB9C10D65E72 (1)

Weight, g/mol:

1175.815319

ΔHf, kcal/mol:

-225.09

Dipole, Da:

8.44

IP(EA), eV:

 -9.21(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-acetyloxytetracosanoylamino)-3-benzoyloxy-1-trityloxyoctadecan-4-yl] benzoate

Drug info:

PubChemData

Smile

CCCN1C(C(C(C(C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=O)NC5=NC(=NC(=N5)Cl)NC(=O)NCC6C(C(C(C(=O)N6CCC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations