Geometry & MOs

Info

ID:	227960
PubChem CID:	87563131
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	316.89691
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	6.5
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNCCCCONC1=NC2=CC=CC=C2C=N1

DOS

IR

Vibrations