Geometry & MOs

Info

ID:

9623

PubChem CID:

91639

Reduced:

O6C11H16 (4)

Stoich.:

A6B11C16 (4)

Weight, g/mol:

976.378753

ΔHf, kcal/mol:

-1019.59

Dipole, Da:

2.4

IP(EA), eV:

 -9.38(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate

Drug info:

PubChemData

Smile

CC(=CC=CC=C(C)C=CC=C(C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

DOS

IR

Vibrations