Geometry & MOs

Info

ID:	373492
PubChem CID:	131316050
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	4.82
IP(EA), eV:	-9.37(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-5-cyano-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations