Geometry & MOs

Info

ID:	43535
PubChem CID:	10321432
Reduced:	SO2N3C9H10 (2)
Stoich.:	AB2C3D9E10 (2)
Weight, g/mol:	448.216221
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	3.54
IP(EA), eV:	-8.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(4-fluorophenyl)-3-(5'-oxospiro[8-azabicyclo[3.2.1]octane-3,2'-oxolane]-8-yl)propoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C3=NC(=NN3)SCC(=O)OCC

DOS

IR

Vibrations