Geometry & MOs

Info

ID:	17013
PubChem CID:	482150
Reduced:	SN2O4C29H34 (1)
Stoich.:	AB2C4D29E34 (1)
Weight, g/mol:	506.223929
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	5.33
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C[C@@H](CCN1CCC(CC1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations