Geometry & MOs

Info

ID:	164648
PubChem CID:	74431124
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	405.233765
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	1.1
IP(EA), eV:	-10.38(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-11-methyldodeca-2,6,10-trien-1-one

Drug info:

PubChemData

Smile

CCN1C(C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)Cl

DOS

IR

Vibrations