Geometry & MOs

Info

ID:

307032

PubChem CID:

125264704

Reduced:

O4C15H24 (2)

Stoich.:

A4B15C24 (2)

Weight, g/mol:

536.334918

ΔHf, kcal/mol:

-367.74

Dipole, Da:

4.33

IP(EA), eV:

 -9.26(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4Z,6S,7S,10R)-7,10-dihydroxy-2-[(2E,4E,6S)-7-[(2R,3S)-3-[(2S,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate

Drug info:

PubChemData

Smile

CC[C@@H]([C@H](C)[C@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@H]2[C@@H](/C=C\[C@H]([C@@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O

DOS

IR

Vibrations