Geometry & MOs

Info

ID:	371384
PubChem CID:	127346100
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-60.25
Dipole, Da:	7.16
IP(EA), eV:	-9.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4CCC3C5=CC=CC=C45

DOS

IR

Vibrations