Geometry & MOs

Info

ID:	191612
PubChem CID:	78168605
Reduced:	SN5O6C13H19 (1)
Stoich.:	AB5C6D13E19 (1)
Weight, g/mol:	387.121255
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	5.01
IP(EA), eV:	-9.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(azetidin-3-ylamino)ethyl]-1,2-oxazol-3-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C3=NOC(=C3)CNC4CNC4

DOS

IR

Vibrations