Geometry & MOs

Info

ID:	438016
PubChem CID:	135227529
Reduced:	SN4O6C11H20 (1)
Stoich.:	AB4C6D11E20 (1)
Weight, g/mol:	426.084535
ΔH_f, kcal/mol:	-197.62
Dipole, Da:	6.63
IP(EA), eV:	-9.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-2-[methyl-[(2-oxo-2-phenylacetyl)amino]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCNN(CC)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O

DOS

IR

Vibrations