Geometry & MOs

Info

ID:	16257
PubChem CID:	462843
Reduced:	SO3F6H12C20 (1)
Stoich.:	AB3C6D12E20 (1)
Weight, g/mol:	446.041134
ΔH_f, kcal/mol:	-364.87
Dipole, Da:	2.19
IP(EA), eV:	-8.97(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-6-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations