Geometry & MOs

Info

ID:	300215
PubChem CID:	121269866
Reduced:	SN3O3F4H9C18 (1)
Stoich.:	AB3C3D4E9F18 (1)
Weight, g/mol:	271.94843
ΔH_f, kcal/mol:	-145.36
Dipole, Da:	7.54
IP(EA), eV:	-10.11(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-fluoro-3-oxo-1,2-dihydroindene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](C(=O)C2=C(C=CC(=C21)OC3=CC(=CC(=C3)C#N)F)S(=NC#N)(=O)C(F)F)F

DOS

IR

Vibrations