Geometry & MOs

Info

ID:	375150
PubChem CID:	131472665
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-14.87
Dipole, Da:	2.51
IP(EA), eV:	-9.64(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)SC(=C2Br)CC(=O)O

DOS

IR

Vibrations