Geometry & MOs

Info

ID:

432688

PubChem CID:

135172824

Reduced:

F3O8C41H53 (1)

Stoich.:

A3B8C41D53 (1)

Weight, g/mol:

694.350569

ΔHf, kcal/mol:

-502.29

Dipole, Da:

3.87

IP(EA), eV:

 -9.03(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2CCC(CC2)C3CCC(CC3)CCCCC(F)(F)F)C4=CC(=CC(=C4)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations