Geometry & MOs

Info

ID:	315579
PubChem CID:	126627885
Reduced:	O2F3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	368.090529
ΔH_f, kcal/mol:	-218.72
Dipole, Da:	4.4
IP(EA), eV:	-9.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-ylbenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(COCC1=CC=C(C=C1)C=C)(C(F)(F)F)O

DOS

IR

Vibrations