Geometry & MOs

Info

ID:

26034

PubChem CID:

636640

Reduced:

NO17C36H45 (1)

Stoich.:

AB17C36D45 (1)

Weight, g/mol:

489.254895

ΔHf, kcal/mol:

-743.83

Dipole, Da:

8.28

IP(EA), eV:

 -10.21(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7R,8S,9S,11Z,16R)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O)C

DOS

IR

Vibrations