Geometry & MOs

Info

ID:	144966
PubChem CID:	53441410
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	392.983165
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	3.68
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2,3,4,5,6-pentafluoro-1-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OCCOCCCl

DOS

IR

Vibrations