Geometry & MOs

Info

ID:

432464

PubChem CID:

135172597

Reduced:

F3O8C41H47 (1)

Stoich.:

A3B8C41D47 (1)

Weight, g/mol:

622.350569

ΔHf, kcal/mol:

-439.99

Dipole, Da:

4.76

IP(EA), eV:

 -8.58(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[2-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations