Geometry & MOs

Info

ID:	80908
PubChem CID:	49853858
Reduced:	BrFOSH6C10 (1)
Stoich.:	ABCDE6F10 (1)
Weight, g/mol:	178.045236
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1H-isothiochromen-4-one

Drug info:

PubChemData

Smile

C1/C(=C/Br)/C(=O)C2=C(S1)C=CC(=C2)F

DOS

IR

Vibrations