Geometry & MOs

Info

ID:	390165
PubChem CID:	134997522
Reduced:	LiMgSCl3O4C14H18 (1)
Stoich.:	ABCD3E4F14G18 (1)
Weight, g/mol:	269.05105
ΔH_f, kcal/mol:	-302.81
Dipole, Da:	4.62
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-oxo-4-phenylbut-2-ynyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)OC(=O)C1=[C-]SC(=C1C(=O)OC(C)(C)C)Cl.[Mg+2].[Cl-].[Cl-]

DOS

IR

Vibrations