Geometry & MOs

Info

ID:	191610
PubChem CID:	78168603
Reduced:	SN5O6C13H21 (1)
Stoich.:	AB5C6D13E21 (1)
Weight, g/mol:	417.143053
ΔH_f, kcal/mol:	-137.97
Dipole, Da:	4.13
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-[2-(diaminomethylideneamino)ethylamino]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)CCNCCN

DOS

IR

Vibrations