Geometry & MOs

Info

ID:	121391
PubChem CID:	50766182
Reduced:	FSN4O5C23H29 (1)
Stoich.:	ABC4D5E23F29 (1)
Weight, g/mol:	464.176979
ΔH_f, kcal/mol:	-212.28
Dipole, Da:	2.0
IP(EA), eV:	-8.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-yl)-5-[(4-methylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations