Geometry & MOs

Info

ID:	432685
PubChem CID:	135172821
Reduced:	F2O5C18H18 (2)
Stoich.:	A2B5C18D18 (2)
Weight, g/mol:	658.202582
ΔH_f, kcal/mol:	-550.55
Dipole, Da:	4.82
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCC(F)(F)F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations