Geometry & MOs

Info

ID:	372931
PubChem CID:	131307197
Reduced:	BrNO2F3H5C8 (1)
Stoich.:	ABC2D3E5F8 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-209.21
Dipole, Da:	6.62
IP(EA), eV:	-10.94(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-nitro-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1C(F)(F)F)CC(=O)O)Br

DOS

IR

Vibrations