Geometry & MOs

Info

ID:	374264
PubChem CID:	131325969
Reduced:	NSO2F3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	249.007134
ΔH_f, kcal/mol:	-206.76
Dipole, Da:	3.72
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(trifluoromethoxy)-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)O)OC(F)(F)F)N

DOS

IR

Vibrations