Geometry & MOs

Info

ID:	375146
PubChem CID:	131472658
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	3.83
IP(EA), eV:	-9.3(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-6-cyano-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC2=C1SC=C2C#N)Br

DOS

IR

Vibrations