Geometry & MOs

Info

ID:	169975
PubChem CID:	75176247
Reduced:	NSO3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	2.04
IP(EA), eV:	-10.42(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-oxo-3,6-diazabicyclo[3.2.1]octane-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1S(=O)(=O)C)C=O

DOS

IR

Vibrations