Geometry & MOs

Info

ID:

26037

PubChem CID:

636674

Reduced:

O2C15H24 (2)

Stoich.:

A2B15C24 (2)

Weight, g/mol:

584.356048

ΔHf, kcal/mol:

-238.4

Dipole, Da:

3.82

IP(EA), eV:

 -9.06(0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,7S,8R,11R,13R)-1,7-dihydroxy-13-[(2R,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-5,8-dimethyl-5-[(3E,5E)-octa-3,5-dienyl]-4,15-dioxabicyclo[9.3.1]pentadecan-3-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@@H]([C@]3(C)C(=O)O)O)C

DOS

IR

Vibrations