Geometry & MOs

Info

ID:	372533
PubChem CID:	131299370
Reduced:	BrSF2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	244.03025
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	3.37
IP(EA), eV:	-9.47(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-8-fluoro-3,4-dihydro-1H-isochromene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)C(F)F)Br)C(=O)O

DOS

IR

Vibrations