Geometry & MOs

Info

ID:

432406

PubChem CID:

135172539

Reduced:

F3O9C34H35 (1)

Stoich.:

A3B9C34D35 (1)

Weight, g/mol:

684.234631

ΔHf, kcal/mol:

-464.2

Dipole, Da:

2.06

IP(EA), eV:

 -8.66(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[2-[3-fluoro-4-(5,5,5-trifluoropentyl)phenyl]ethynyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations