Geometry & MOs

Info

ID:

47629

PubChem CID:

10534545

Reduced:

P5O21C76H77 (1)

Stoich.:

A5B21C76D77 (1)

Weight, g/mol:

1483.832151

ΔHf, kcal/mol:

-985.82

Dipole, Da:

7.35

IP(EA), eV:

 -9.05(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-2-(acetyloxymethyl)-4,5-dibenzoyloxy-6-[(2S,3S,4R)-3,4-dibenzoyloxy-2-[[(2R)-2-benzoyloxytetracosanoyl]amino]hexadecoxy]oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)O[C@@H]3[C@H](C([C@H]([C@H](C3O)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9)OP(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations