Geometry & MOs

Info

ID:	166806
PubChem CID:	74735937
Reduced:	O2N3S3C17H29 (1)
Stoich.:	A2B3C3D17E29 (1)
Weight, g/mol:	397.18577
ΔH_f, kcal/mol:	44.49
Dipole, Da:	5.79
IP(EA), eV:	-6.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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=CS3)C[NH+]4CCSCC4

DOS

IR

Vibrations