Geometry & MOs

Info

ID:	140693
PubChem CID:	52741358
Reduced:	SO3N4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	449.258637
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	4.92
IP(EA), eV:	-8.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N[C@H](C)CN1C[C@@H](C[C@@H](C1)C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations