Geometry & MOs

Info

ID:	177255
PubChem CID:	76155039
Reduced:	FS2O3N6H19C20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	305.148789
ΔH_f, kcal/mol:	-18.57
Dipole, Da:	7.65
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxypyrimidin-4-yl)-1-oxidospiro[1-azoniabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2N=CC=N2)OC3=C(N=CC(=C3)C4=CN=C(S4)CS(=O)(=O)C)N

DOS

IR

Vibrations