Geometry & MOs

Info

ID:	85152
PubChem CID:	49872095
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-11.49
Dipole, Da:	3.34
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dioxo-2lambda6-thia-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-9-one

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)N3CCN4C5=C(C3=O)C=CC=C5N=C4C6=CC=C(C=C6)F

DOS

IR

Vibrations