Geometry & MOs

Info

ID:

82952

PubChem CID:

49856869

Reduced:

O9C38H62 (1)

Stoich.:

A9B38C62 (1)

Weight, g/mol:

738.51021

ΔHf, kcal/mol:

-457.36

Dipole, Da:

3.24

IP(EA), eV:

 -8.7(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,4S,5R)-6-[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[(E,3S,4S)-4-hydroxy-3,5-dimethylhex-1-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]-4-methyl-5-triethylsilyloxyhex-2-enal

Drug info:

PubChemData

Smile

C[C@@H](/C=C/[C@H]1C[C@H](OC(O1)(C)C)C[C@@H]2C[C@H](OC(O2)(C)C)C[C@@H]3C[C@@H](OC(O3)(C)C)CCO)[C@H](C(C)C)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations