Geometry & MOs

Info

ID:	20162
PubChem CID:	580537
Reduced:	SO4F6H12C18 (1)
Stoich.:	AB4C6D12E18 (1)
Weight, g/mol:	438.036049
ΔH_f, kcal/mol:	-426.18
Dipole, Da:	4.46
IP(EA), eV:	-10.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1,1-dioxo-2,5-bis[3-(trifluoromethyl)phenyl]thiolan-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2C(C(=O)C(S2(=O)=O)C3=CC(=CC=C3)C(F)(F)F)O

DOS

IR

Vibrations