Geometry & MOs

Info

ID:	155335
PubChem CID:	56352924
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	413.250084
ΔH_f, kcal/mol:	-122.35
Dipole, Da:	5.45
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations