Geometry & MOs

Info

ID:	31325
PubChem CID:	855577
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	5.97
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations