Geometry & MOs

Info

ID:	251113
PubChem CID:	103101552
Reduced:	BrSN2O5C11H13 (1)
Stoich.:	ABC2D5E11F13 (1)
Weight, g/mol:	289.073242
ΔH_f, kcal/mol:	-177.09
Dipole, Da:	3.85
IP(EA), eV:	-9.94(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

DOS

IR

Vibrations