Geometry & MOs

Info

ID:

222855

PubChem CID:

85332777

Reduced:

NO5C35H49 (1)

Stoich.:

AB5C35D49 (1)

Weight, g/mol:

563.339293

ΔHf, kcal/mol:

-189.33

Dipole, Da:

5.43

IP(EA), eV:

 -8.55(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,8-dihydroxy-13-(imidazolidin-2-ylmethyl)-5,5,7,9-tetramethyl-16-[1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

Drug info:

PubChemData

Smile

CCCCC1=CN=C(O1)C2(CC2)C(C=CCC3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)OC(=O)C

DOS

IR

Vibrations