Geometry & MOs

Info

ID:	140960
PubChem CID:	52790585
Reduced:	SN3O3C21H33 (1)
Stoich.:	AB3C3D21E33 (1)
Weight, g/mol:	416.200788
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	7.13
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(phenylsulfamoyl)-N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1CCC[C@H](C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations