Geometry & MOs

Info

ID:	229549
PubChem CID:	87567997
Reduced:	SO2N7H17C20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	344.200669
ΔH_f, kcal/mol:	32.77
Dipole, Da:	5.92
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxy-1,3,5-triazinan-1-yl)-1-azoniabicyclo[2.2.2]octane;tetrafluoroborate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=N2)C(C3=NC(=CC=C3)C(=O)N)S)N)C#N

DOS

IR

Vibrations