Geometry & MOs

Info

ID:

15540

PubChem CID:

443555

Reduced:

O4C17H23 (2)

Stoich.:

A4B17C23 (2)

Weight, g/mol:

582.319268

ΔHf, kcal/mol:

-314.03

Dipole, Da:

6.21

IP(EA), eV:

 -9.49(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2R,3S,4'S,6S,8'R,12'S,13'S,20'S,24'S)-2-butan-2-yl-12',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2',21'-dione

Drug info:

PubChemData

Smile

CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C(C5=O)C)C(=O)O3)O)C)O)C)C

DOS

IR

Vibrations