Geometry & MOs

Info

ID:	229434
PubChem CID:	87567639
Reduced:	ClSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	175.012556
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	6.26
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dithia-7-azaspiro[4.4]nonan-6-one

Drug info:

PubChemData

Smile

C1CC2(CCC1CNC3=NC(=CS3)C4=CC=CC=N4)CN(C(=O)O2)C5=CN=CC=C5.Cl

DOS

IR

Vibrations