Geometry & MOs

Info

ID:	142867
PubChem CID:	53105622
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	463.103577
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	7.58
IP(EA), eV:	-8.78(-0.51)
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-(3-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)N(CC3(C)C)C(=O)C

DOS

IR

Vibrations