Geometry & MOs

Info

ID:	374568
PubChem CID:	131331622
Reduced:	BrSF3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	242.041294
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	2.54
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-hydroxy-7-methyl-2,3-dihydrothiochromene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2CBr)F)C(F)F

DOS

IR

Vibrations