Geometry & MOs

Info

ID:	31353
PubChem CID:	855612
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	6.26
IP(EA), eV:	-9.29(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C(C=C2C=C1)C#N)SCC(=O)NC3CCCC3

DOS

IR

Vibrations