Geometry & MOs

Info

ID:

432463

PubChem CID:

135172596

Reduced:

F3O6C37H47 (1)

Stoich.:

A3B6C37D47 (1)

Weight, g/mol:

724.322303

ΔHf, kcal/mol:

-419.54

Dipole, Da:

3.78

IP(EA), eV:

 -9.15(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2CCC(CC2)CCCCC(F)(F)F)C3=CC(=C(C=C3)CCOC(=O)C(=C)CO)CCOC(=O)C(=C)CO

DOS

IR

Vibrations