Geometry & MOs

Info

ID:

432471

PubChem CID:

135172604

Reduced:

F3O6C37H47 (1)

Stoich.:

A3B6C37D47 (1)

Weight, g/mol:

600.272318

ΔHf, kcal/mol:

-422.79

Dipole, Da:

2.71

IP(EA), eV:

 -8.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[2-[4-(4-pentylphenyl)phenyl]ethynyl]phenoxy]methyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)CCOC(=O)C(=C)CO)CCOC(=O)C(=C)CO)C3CCC(CC3)CCCCC(F)(F)F

DOS

IR

Vibrations