Geometry & MOs

Info

ID:	85911
PubChem CID:	49880078
Reduced:	ClSN2O4C11H22 (1)
Stoich.:	ABC2D4E11F22 (1)
Weight, g/mol:	408.169009
ΔH_f, kcal/mol:	-150.86
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 6-ethoxy-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate;chloride

Drug info:

PubChemData

Smile

C1COCCN1CCCNC2CS(=O)(=O)CC2O.[Cl-]

DOS

IR

Vibrations