Geometry & MOs

Info

ID:	191609
PubChem CID:	78168505
Reduced:	ClSF4N4O5H21C26 (1)
Stoich.:	ABC4D4E5F21G26 (1)
Weight, g/mol:	375.121255
ΔH_f, kcal/mol:	-321.21
Dipole, Da:	5.2
IP(EA), eV:	-9.19(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)COC4=CN=CC(=C4)C5=C(C=CC(=C5)C(F)(F)F)F

DOS

IR

Vibrations