Geometry & MOs

Info

ID:	182384
PubChem CID:	76883860
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-122.71
Dipole, Da:	5.77
IP(EA), eV:	-9.1(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-N-pyrazolidin-4-ylsulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations