Geometry & MOs

Info

ID:	315674
PubChem CID:	126628445
Reduced:	FOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	458.02925
ΔH_f, kcal/mol:	-133.78
Dipole, Da:	4.34
IP(EA), eV:	-9.63(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butan-2-yl-3-methylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1(CCC(C1)C(=O)C(C)(C)C)F

DOS

IR

Vibrations