Geometry & MOs

Info

ID:	396890
PubChem CID:	135029395
Reduced:	SO4N6H10C11 (1)
Stoich.:	AB4C6D10E11 (1)
Weight, g/mol:	324.098918
ΔH_f, kcal/mol:	-3.97
Dipole, Da:	3.33
IP(EA), eV:	-10.63(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R)-3-azido-4-chloro-2-ethoxy-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=N1)C2=CC=C(C=C2)S(=O)(=O)N=[N+]=[N-]

DOS

IR

Vibrations