Geometry & MOs

Info

ID:	45941
PubChem CID:	10519451
Reduced:	ClNO5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	1.91
IP(EA), eV:	-9.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methoxy-6-methyl-8-oxo-7-phenyl-1,7-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CO[C@@H](C[C@H](CCC(=O)OC)[N+](=O)[O-])C1=CC=C(C=C1)Cl

DOS

IR

Vibrations