Geometry & MOs

Info

ID:	150374
PubChem CID:	53790063
Reduced:	SN3O5C28H35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-193.38
Dipole, Da:	1.82
IP(EA), eV:	-8.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methoxy-7,8-dioxo-2-azabicyclo[4.2.0]octane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations