Geometry & MOs

Info

ID:

405057

PubChem CID:

135072373

Reduced:

NO4C19H27 (2)

Stoich.:

AB4C19D27 (2)

Weight, g/mol:

932.6413

ΔHf, kcal/mol:

-305.5

Dipole, Da:

6.56

IP(EA), eV:

 -9.05(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2S,4R,5S,6R,9S,11R,16R)-6,9,11-tris[[tert-butyl(dimethyl)silyl]oxy]-17-[(2S,3S)-3-ethenyloxiran-2-yl]-5-hydroxy-4,11,12,16-tetramethyl-14-methylidene-7-oxoheptadec-12-en-2-yl] (2E)-2-methylhepta-2,6-dienoate

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)N[C@H](C)C(=O)O[C@@H](C/C=C/C=C)[C@H](C)[C@H](/C(=C\CCC1=CC(=CC(=C1)OCOC)NC(=O)C[C@H](/C=C/C=C)OC)/C)O

DOS

IR

Vibrations