Geometry & MOs

Info

ID:	17869
PubChem CID:	524788
Reduced:	Cl3O3F5H8C16 (1)
Stoich.:	A3B3C5D8E16 (1)
Weight, g/mol:	447.945918
ΔH_f, kcal/mol:	-316.97
Dipole, Da:	3.57
IP(EA), eV:	-9.19(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl)methyl 2-(2,4,5-trichlorophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)OC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations