Geometry & MOs

Info

ID:

432421

PubChem CID:

135172554

Reduced:

F3O8C35H37 (1)

Stoich.:

A3B8C35D37 (1)

Weight, g/mol:

670.275353

ΔHf, kcal/mol:

-438.98

Dipole, Da:

2.57

IP(EA), eV:

 -9.19(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[2-[4-[4-(5,5,5-trifluoropentyl)phenyl]phenyl]ethyl]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)CCC3=CC=C(C=C3)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations