Geometry & MOs

Info

ID:	399915
PubChem CID:	135043765
Reduced:	N3O5C11H11 (1)
Stoich.:	A3B5C11D11 (1)
Weight, g/mol:	224.059269
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	7.96
IP(EA), eV:	-8.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 2,2-dioxooxathiazolidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[N+](=O)[O-])OC

DOS

IR

Vibrations