Geometry & MOs

Info

ID:	358959
PubChem CID:	127296850
Reduced:	S2N3O3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	3.83
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohex-2-en-1-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCC3CCC3

DOS

IR

Vibrations