Geometry & MOs

Info

ID:

432424

PubChem CID:

135172557

Reduced:

F3O10H33C34 (1)

Stoich.:

A3B10C33D34 (1)

Weight, g/mol:

666.244053

ΔHf, kcal/mol:

-502.82

Dipole, Da:

5.14

IP(EA), eV:

 -9.11(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[2-[4-(5,5,5-trifluoropentyl)phenyl]ethynyl]phenyl]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)OC(=O)C3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations