Geometry & MOs

Info

ID:	362037
PubChem CID:	127305574
Reduced:	ON5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	315.161663
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	4.11
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N(C)C3CN4CCC3CC4)C(C)(C)C

DOS

IR

Vibrations