Geometry & MOs

Info

ID:

441998

PubChem CID:

135247645

Reduced:

F2O3C18H21 (2)

Stoich.:

A2B3C18D21 (2)

Weight, g/mol:

602.249138

ΔHf, kcal/mol:

-350.55

Dipole, Da:

5.29

IP(EA), eV:

 -8.99(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=CC(=C2)OCCOOC(=C)CO)OCCC(=C)CO)C3=CC(=C(C=C3)CCCCCC(F)(F)F)F

DOS

IR

Vibrations