Geometry & MOs

Info

ID:	211905
PubChem CID:	81058788
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	370.94968
ΔH_f, kcal/mol:	-194.24
Dipole, Da:	6.84
IP(EA), eV:	-9.84(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[2-ethoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

DOS

IR

Vibrations