Geometry & MOs

Info

ID:	373490
PubChem CID:	131316041
Reduced:	BrSN2O2H3C9 (1)
Stoich.:	ABC2D2E3F9 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	75.96
Dipole, Da:	7.12
IP(EA), eV:	-9.64(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)Br)C(=C1C#N)[N+](=O)[O-]

DOS

IR

Vibrations