Geometry & MOs

Info

ID:	121405
PubChem CID:	50766955
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-165.58
Dipole, Da:	5.44
IP(EA), eV:	-8.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-piperidin-1-ylpiperidin-1-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations