Geometry & MOs

Info

ID:	127090
PubChem CID:	50990491
Reduced:	BrFNO2H3C6 (1)
Stoich.:	ABCD2E3F6 (1)
Weight, g/mol:	505.84329
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	3.64
IP(EA), eV:	-10.72(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C=N1)Br)C(=O)O)F

DOS

IR

Vibrations