Geometry & MOs

Info

ID:	372823
PubChem CID:	131305506
Reduced:	BrNSO2H4C10 (1)
Stoich.:	ABCD2E4F10 (1)
Weight, g/mol:	280.91461
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	5.61
IP(EA), eV:	-9.62(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C(=O)O)C(=CS2)Br)C#N

DOS

IR

Vibrations