Geometry & MOs

Info

ID:

45177

PubChem CID:

10508766

Reduced:

SSi2O5C38H58 (1)

Stoich.:

AB2C5D38E58 (1)

Weight, g/mol:

682.626397

ΔHf, kcal/mol:

-225.51

Dipole, Da:

4.3

IP(EA), eV:

 -8.52(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4aR,6aR,6aS,6bS,8aR,12aR,14aR,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] hexadecanoate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(=O)[C@H]1C[C@@H](C#C/C=C\C#C[C@@]([C@@]1(C=C)SC2=CC=CC=C2)(C)O[Si](C)(C)C(C)(C)C)OCOC

DOS

IR

Vibrations