Geometry & MOs

Info

ID:

435688

PubChem CID:

135192161

Reduced:

FN2O6C28H35 (1)

Stoich.:

AB2C6D28E35 (1)

Weight, g/mol:

596.326165

ΔHf, kcal/mol:

-248.85

Dipole, Da:

3.54

IP(EA), eV:

 -8.52(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E,6Z)-5-ethylidene-6-[1-(5-fluoro-2-methylphenoxy)-3-[2-methoxy-4-[2-(oxan-2-yloxy)ethoxy]phenyl]butan-2-ylidene]-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)/C(=C(/C)\OCC1=C(C=CC2=C1N(C(=O)C(N2)(C)C)C)C3=C(C=C(C=C3)OCC(=O)OC)OC)/F

DOS

IR

Vibrations