Geometry & MOs

Info

ID:	146682
PubChem CID:	53730684
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	527.103222
ΔH_f, kcal/mol:	51.01
Dipole, Da:	9.88
IP(EA), eV:	-9.01(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (5R,6S)-3-(2-acetamidoethylsulfanyl)-6-[(1S)-1-methylsulfonyloxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CNC2=C3C1=CN=C3C(=O)C(=N)C2

DOS

IR

Vibrations