Geometry & MOs

Info

ID:	371702
PubChem CID:	131270720
Reduced:	BrFNH5O5C8 (1)
Stoich.:	ABCD5E5F8 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	5.79
IP(EA), eV:	-10.71(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-2-hydroxy-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(C(=O)O)O)[N+](=O)[O-])Br)F

DOS

IR

Vibrations