Geometry & MOs

Info

ID:	121399
PubChem CID:	50766669
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-137.96
Dipole, Da:	6.22
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dimethylphenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CCCCN(C)C1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)O

DOS

IR

Vibrations