Geometry & MOs

Info

ID:	374330
PubChem CID:	131326863
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	249.007134
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	6.85
IP(EA), eV:	-8.98(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-(trifluoromethoxy)-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1CBr)C=C(S2)[N+](=O)[O-])O

DOS

IR

Vibrations