Geometry & MOs

Info

ID:	140962
PubChem CID:	52790587
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	416.200788
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	2.63
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC[C@@H](C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

DOS

IR

Vibrations