Geometry & MOs

Info

ID:	64881
PubChem CID:	29204146
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	291.102606
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	5.84
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-benzofuran-2-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

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