Geometry & MOs

Info

ID:	142868
PubChem CID:	53106203
Reduced:	FS2N3O4C21H22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	489.139213
ΔH_f, kcal/mol:	-171.75
Dipole, Da:	6.48
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)F)SC1=O

DOS

IR

Vibrations