Geometry & MOs

Info

ID:	372796
PubChem CID:	131304957
Reduced:	SN2O3H4C9 (1)
Stoich.:	AB2C3D4E9 (1)
Weight, g/mol:	242.996569
ΔH_f, kcal/mol:	32.12
Dipole, Da:	2.66
IP(EA), eV:	-9.49(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-(trifluoromethyl)-1-benzothiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=CSC2=C1C#N)[N+](=O)[O-])O

DOS

IR

Vibrations