Geometry & MOs

Info

ID:	251118
PubChem CID:	103101605
Reduced:	SN4O5C9H14 (1)
Stoich.:	AB4C5D9E14 (1)
Weight, g/mol:	275.057592
ΔH_f, kcal/mol:	-180.7
Dipole, Da:	4.51
IP(EA), eV:	-9.76(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=NNC(=C1C(=O)O)C

DOS

IR

Vibrations