Geometry & MOs

Info

ID:	132170
PubChem CID:	51315516
Reduced:	ClN3O5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-192.29
Dipole, Da:	4.99
IP(EA), eV:	-9.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(4-methylphenyl)sulfanylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCC3(CC2)C(=O)NC(=O)N3)OC

DOS

IR

Vibrations