Geometry & MOs

Info

ID:	297220
PubChem CID:	117613481
Reduced:	S2N5O7C12H19 (1)
Stoich.:	A2B5C7D12E19 (1)
Weight, g/mol:	395.09985
ΔH_f, kcal/mol:	-196.16
Dipole, Da:	8.21
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2S)-7-oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxyacetate

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)NOCC(C2=NC=CS2)N)C(=O)NOS(=O)(=O)O

DOS

IR

Vibrations