Geometry & MOs

Info

ID:	182385
PubChem CID:	76883861
Reduced:	SN3O4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	6.09
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-pyrazolidin-4-ylsulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2CNNC2

DOS

IR

Vibrations