Geometry & MOs

Info

ID:	31399
PubChem CID:	855670
Reduced:	FOSN5H14C16 (1)
Stoich.:	ABCD5E14F16 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	41.78
Dipole, Da:	2.87
IP(EA), eV:	-9.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CSC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations