Geometry & MOs

Info

ID:	38053
PubChem CID:	8026655
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	2.84
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)[C@H]2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations