Geometry & MOs

Info

ID:	374443
PubChem CID:	131329529
Reduced:	OF2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	235.991899
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	5.77
IP(EA), eV:	-9.53(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-(trifluoromethyl)-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1[C@@H](CC#N)N)F)F

DOS

IR

Vibrations