Geometry & MOs

Info

ID:	137994
PubChem CID:	52297009
Reduced:	S2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	428.13246
ΔH_f, kcal/mol:	6.79
Dipole, Da:	6.09
IP(EA), eV:	-8.87(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C2=CC=C(O2)CN(C)S(=O)(=O)C3=CC=CC4=NSN=C43

DOS

IR

Vibrations