Geometry & MOs

Info

ID:	373418
PubChem CID:	131314969
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	4.52
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-7-cyano-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)CC(=O)O)Br)C#N

DOS

IR

Vibrations