Geometry & MOs

Info

ID:

408625

PubChem CID:

135081393

Reduced:

NO9C28H47 (1)

Stoich.:

AB9C28D47 (1)

Weight, g/mol:

334.178024

ΔHf, kcal/mol:

-418.3

Dipole, Da:

1.07

IP(EA), eV:

 -8.73(0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E,6R)-4-methyl-6-[(1R,3R,4S,5R)-1,3,4-trimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxirane]-3-yl]hepta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=C)N[C@@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@H]4CCCC(O4)O)(C)C)OC)OCO2)O)OC)C

DOS

IR

Vibrations