Geometry & MOs

Info

ID:	186288
PubChem CID:	77413985
Reduced:	ClON2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	447.040621
ΔH_f, kcal/mol:	167.92
Dipole, Da:	3.05
IP(EA), eV:	-7.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylate;sulfate

Drug info:

PubChemData

Smile

C1CC2C(=CCC3=C4N2C5=CC=NCC5C4CCC3CC6=CC=CO6)C=C1.Cl

DOS

IR

Vibrations