Geometry & MOs

Info

ID:

161583

PubChem CID:

57392051

Reduced:

FN2O4C29H33 (1)

Stoich.:

AB2C4D29E33 (1)

Weight, g/mol:

572.40769

ΔHf, kcal/mol:

-145.49

Dipole, Da:

4.84

IP(EA), eV:

 -8.16(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R,5R,7R,10S,11R,14R,15R)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbutanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)CCC4=CC=C(C=C4)F)O

DOS

IR

Vibrations