Geometry & MOs

Info

ID:	373491
PubChem CID:	131316048
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	3.23
IP(EA), eV:	-9.51(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-cyano-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C(=CS2)C#N)CC(=O)O)Br

DOS

IR

Vibrations