Geometry & MOs

Info

ID:	182383
PubChem CID:	76883859
Reduced:	SO2N4C8H12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-19.68
Dipole, Da:	5.17
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-N-pyrazolidin-4-ylsulfonylanilino)propanoic acid

Drug info:

PubChemData

Smile

C1C(CNN1)S(=O)(=O)NC2=CC=CC=N2

DOS

IR

Vibrations