Geometry & MOs

Info

ID:	165626
PubChem CID:	74577569
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	443.17193
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.1
IP(EA), eV:	-9.56(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-1-ium-3-yl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2CC(CN2C)NS(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations