Geometry & MOs

Info

ID:	408364
PubChem CID:	135081130
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	4.33
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxybicyclo[2.2.2]oct-5-ene-2,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC(C(C(=O)[O-])N)C(=O)[O-]

DOS

IR

Vibrations