Geometry & MOs

Info

ID:	121397
PubChem CID:	50766564
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	460.166808
ΔH_f, kcal/mol:	-136.45
Dipole, Da:	7.02
IP(EA), eV:	-8.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethylphenyl)sulfonylamino]-2-(3-ethoxycarbonylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations