Geometry & MOs

Info

ID:	375147
PubChem CID:	131472659
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	4.96
IP(EA), eV:	-9.39(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-6-cyano-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)Br)C#N)CC(=O)O

DOS

IR

Vibrations