Geometry & MOs

Info

ID:	121394
PubChem CID:	50766466
Reduced:	FSN4O6C22H27 (1)
Stoich.:	ABC4D6E22F27 (1)
Weight, g/mol:	488.198108
ΔH_f, kcal/mol:	-237.0
Dipole, Da:	5.93
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-tert-butylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations