Geometry & MOs

Info

ID:	191611
PubChem CID:	78168604
Reduced:	SO6N7C14H23 (1)
Stoich.:	AB6C7D14E23 (1)
Weight, g/mol:	373.105605
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	11.94
IP(EA), eV:	-9.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(azetidin-3-ylamino)methyl]-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)CCNCCN=C(N)N

DOS

IR

Vibrations