Geometry & MOs

Info

ID:

394397

PubChem CID:

135022908

Reduced:

O7C23H36 (1)

Stoich.:

A7B23C36 (1)

Weight, g/mol:

881.468732

ΔHf, kcal/mol:

-325.44

Dipole, Da:

4.42

IP(EA), eV:

-8.89(0.13)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

(Z)-3-[(2R,3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-[3-[(2R,3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-[(1S,2E)-5-formyl-1-hydroxyhexa-2,5-dienyl]-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]oxiran-2-yl]propyl]-3-methyloxiran-2-yl]methyl]-3-methyloxiran-2-yl]methyl]-2-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]methyl]-3-methyloxiran-2-yl]methyl]oxiran-2-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H](C2=CC=C(C=C2)OC)OC[C@](C)(CCCC3(OCCO3)C)O)C

DOS

IR

Vibrations