Geometry & MOs

Info

ID:	432423
PubChem CID:	135172556
Reduced:	F3O8C39H39 (1)
Stoich.:	A3B8C39D39 (1)
Weight, g/mol:	658.202582
ΔH_f, kcal/mol:	-419.27
Dipole, Da:	6.22
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,5-bis[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenyl]phenyl] 4-(5,5,5-trifluoropentyl)benzoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=C(C=C2)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO)C3=CC4=C(C=C3)C=C(C=C4)CCCCC(F)(F)F

DOS

IR

Vibrations