Geometry & MOs

Info

ID:	228862
PubChem CID:	87565998
Reduced:	Cl2H12C21 (2)
Stoich.:	A2B12C21 (2)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	155.9
Dipole, Da:	4.33
IP(EA), eV:	-7.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethynylquinolin-6-yl)oxy-N-(2-methylbut-3-yn-2-yl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C(=C4C=CC=CC4=C(C3=C2C5=CC=CC=C5Cl)C6=CC=CC=C6Cl)C7=CC=CC=C7Cl)C8=CC=CC=C8Cl

DOS

IR

Vibrations