Geometry & MOs

Info

ID:

52782

PubChem CID:

12015950

Reduced:

SiO5C39H52 (1)

Stoich.:

AB5C39D52 (1)

Weight, g/mol:

487.239244

ΔHf, kcal/mol:

-234.78

Dipole, Da:

5.18

IP(EA), eV:

 -8.84(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7R,8S,9S,13E,16S)-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-oxacyclohexadec-13-en-10-yne-2,6-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@@H](CCO2)/C(=C\[C@H]([C@@]3([C@H]4[C@@]1(CCC3C)CCC4=O)C)OC(=O)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)/C

DOS

IR

Vibrations