Geometry & MOs

Info

ID:	176993
PubChem CID:	76123335
Reduced:	OS2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	486.076673
ΔH_f, kcal/mol:	68.12
Dipole, Da:	1.45
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 6-(1-ethoxysulfonyloxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1C=CN2C(S1)C(C2=O)CSC3=NC=CN=N3

DOS

IR

Vibrations