Geometry & MOs

Info

ID:	228616
PubChem CID:	87565425
Reduced:	ZrCl2Si3C26H38 (1)
Stoich.:	AB2C3D26E38 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	2.51
IP(EA), eV:	-6.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethynylquinolin-6-yl)oxy-N-(2-methylpent-4-yn-2-yl)-2-sulfanylpropanamide

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C[Si](C)(C)C1=CC2=CC=CC=C2[CH-]1.C[Si](C)(C)C1=CC2=CC=CC=C2[CH-]1.[Si]=[Zr].Cl.Cl

DOS

IR

Vibrations