Geometry & MOs

Info

ID:

391826

PubChem CID:

135009992

Reduced:

NSO5C17H19 (1)

Stoich.:

ABC5D17E19 (1)

Weight, g/mol:

452.29266

ΔHf, kcal/mol:

-116.6

Dipole, Da:

4.56

IP(EA), eV:

 -8.38(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[(2E,4E,6E,8E,10E)-11-[(2R,3R)-3-[(E)-but-2-en-2-yl]-2-methyloxiran-2-yl]-4,6,8,10-tetramethylundeca-2,4,6,8,10-pentaen-2-yl]-4-hydroxy-3,5-dimethyl-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(N(OCC2=C1)S(=O)(=O)C)C3=CC=CC=C3)OC

DOS

IR

Vibrations