Geometry & MOs

Info

ID:	56719
PubChem CID:	22388925
Reduced:	FSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	526.258006
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	3.13
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CF)CSCCCC(=O)O

DOS

IR

Vibrations