Geometry & MOs

Info

ID:	191613
PubChem CID:	78168606
Reduced:	SN5O6C14H21 (1)
Stoich.:	AB5C6D14E21 (1)
Weight, g/mol:	374.08962
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	5.26
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(azetidin-3-yloxymethyl)-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)CCNC4CNC4

DOS

IR

Vibrations