Geometry & MOs

Info

ID:	52453
PubChem CID:	12015317
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-83.62
Dipole, Da:	3.34
IP(EA), eV:	-10.1(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1S,2R,6R,7R)-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

C/C=C/C(=O)N1C[C@H]2[C@H]3C[C@@H]([C@@H]2S1(=O)=O)C=C3

DOS

IR

Vibrations