Geometry & MOs

Info

ID:	179708
PubChem CID:	76520147
Reduced:	ClC4H4N5 (1)
Stoich.:	AB4C4D5 (1)
Weight, g/mol:	347.142939
ΔH_f, kcal/mol:	93.57
Dipole, Da:	7.44
IP(EA), eV:	-9.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[6-(dimethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CN2C(=NN=N2)C=[NH+]1.[Cl-]

DOS

IR

Vibrations