Geometry & MOs

Info

ID:	140752
PubChem CID:	52752541
Reduced:	SN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	472.232185
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	8.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.971256
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5,8-dimethoxy-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)CS(=O)(=O)[N-]C3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations