Geometry & MOs

Info

ID:	64880
PubChem CID:	29204145
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	5.19
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations