Geometry & MOs

Info

ID:	318358
PubChem CID:	126650698
Reduced:	ClN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	406.127068
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	6.72
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-2-[[3-[methyl(methyliminomethyl)amino]propanoylamino]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)C1=CC=CC(=C1)C2=C(C=C(C(=C2)C#N)Cl)OC

DOS

IR

Vibrations