Geometry & MOs

Info

ID:	166808
PubChem CID:	74735939
Reduced:	S2N3O3C20H33 (1)
Stoich.:	A2B3C3D20E33 (1)
Weight, g/mol:	374.217404
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	8.54
IP(EA), eV:	-7.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[[5-(thiomorpholin-4-ium-4-ylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NCC2CC3CC[NH+]2CC3C[NH+]4CCSCC4

DOS

IR

Vibrations