Geometry & MOs

Info

ID:	375148
PubChem CID:	131472660
Reduced:	BrNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	5.26
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-cyano-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations