Geometry & MOs

Info

ID:

427836

PubChem CID:

135164152

Reduced:

FO8C36H41 (1)

Stoich.:

AB8C36D41 (1)

Weight, g/mol:

620.278546

ΔHf, kcal/mol:

-329.01

Dipole, Da:

2.43

IP(EA), eV:

 -9.23(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-[4-(4-fluorobutyl)phenyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC(=CC(=C3)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)CC)F

DOS

IR

Vibrations