Geometry & MOs

Info

ID:	372881
PubChem CID:	131306540
Reduced:	F2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	280.91461
ΔH_f, kcal/mol:	-200.05
Dipole, Da:	3.92
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-cyano-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C(=C1)F)F)OC)C(=O)O

DOS

IR

Vibrations