Geometry & MOs

Info

ID:

432469

PubChem CID:

135172602

Reduced:

F3O6C37H41 (1)

Stoich.:

A3B6C37D41 (1)

Weight, g/mol:

650.309098

ΔHf, kcal/mol:

-377.44

Dipole, Da:

7.21

IP(EA), eV:

 -8.97(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[1-hydroxy-2-(hydroxymethyl)prop-2-enoxy]ethoxy]-5-[4-[2-(4-pentylphenoxy)ethoxy]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)CCCCC(F)(F)F)C3=CC(=C(C=C3)CCOC(=O)C(=C)CO)CCOC(=O)C(=C)CO

DOS

IR

Vibrations