Geometry & MOs

Info

ID:

16013

PubChem CID:

457826

Reduced:

NaO6C25H29 (1)

Stoich.:

AB6C25D29 (1)

Weight, g/mol:

448.186183

ΔHf, kcal/mol:

-260.25

Dipole, Da:

4.18

IP(EA), eV:

 -8.91(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[(1S,2R,3S,8R,10R,13R,15S)-13-(furan-3-yl)-2-hydroxy-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-4,11-dien-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=CCC(=O)[C@]2([C@H]1[C@H]([C@@H]3[C@](C2CC(=O)[O-])(C4=C([C@@H](C[C@@H]4O3)C5=COC=C5)C)C)O)C.[Na+]

DOS

IR

Vibrations