Geometry & MOs

Info

ID:

432681

PubChem CID:

135172817

Reduced:

F2O4C18H19 (2)

Stoich.:

A2B4C18D19 (2)

Weight, g/mol:

638.285524

ΔHf, kcal/mol:

-493.83

Dipole, Da:

5.37

IP(EA), eV:

 -9.41(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=CC(=C2)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C3=CC(=C(C=C3)CCCCCC(F)(F)F)F

DOS

IR

Vibrations