Geometry & MOs

Info

ID:

392578

PubChem CID:

135017272

Reduced:

O4H26C35 (1)

Stoich.:

A4B26C35 (1)

Weight, g/mol:

727.411789

ΔHf, kcal/mol:

-25.1

Dipole, Da:

1.62

IP(EA), eV:

 -8.83(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[[2-[(1R)-1-[(4S,6S)-6-[(E,6S,7R)-6,7-dihydroxy-7-[(4R,5S,6S)-2,2,5-trimethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxan-4-yl]hept-1-en-3-ynyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-1,3-thiazol-4-yl]methylidene]octanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)OC2=CC3=CC=CC=C3C=C2)OC4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

DOS

IR

Vibrations