Geometry & MOs

Info

ID:	166807
PubChem CID:	74735938
Reduced:	O2S2N3C19H31 (1)
Stoich.:	A2B2C3D19E31 (1)
Weight, g/mol:	427.196334
ΔH_f, kcal/mol:	5.13
Dipole, Da:	6.51
IP(EA), eV:	-7.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-methoxy-N-[[5-(thiomorpholin-4-ium-4-ylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C[NH+]2CC(C1CC2CNS(=O)(=O)C3=CC=CC=C3)C[NH+]4CCSCC4

DOS

IR

Vibrations