Geometry & MOs

Info

ID:	64878
PubChem CID:	29204143
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	6.08
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R)-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)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4)C

DOS

IR

Vibrations