Geometry & MOs

Info

ID:	374376
PubChem CID:	131327605
Reduced:	ClNSF3O3H11C12 (1)
Stoich.:	ABCD3E3F11G12 (1)
Weight, g/mol:	256.954956
ΔH_f, kcal/mol:	-263.05
Dipole, Da:	6.03
IP(EA), eV:	-10.59(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-nitro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C2=C(C1)C=C(C=C2)S(=O)(=O)Cl)C(=O)C(F)(F)F

DOS

IR

Vibrations