Geometry & MOs

Info

ID:

432468

PubChem CID:

135172601

Reduced:

F3O8C35H37 (1)

Stoich.:

A3B8C35D37 (1)

Weight, g/mol:

638.285524

ΔHf, kcal/mol:

-431.59

Dipole, Da:

4.7

IP(EA), eV:

 -9.1(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-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=C(C=C2)CCCCC(F)(F)F)C3=CC(=C(C=C3)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations