Geometry & MOs

Info

ID:	375186
PubChem CID:	131472797
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	6.02
IP(EA), eV:	-9.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-hydroxy-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C2C(=CSC2=C(C=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations