Geometry & MOs

Info

ID:	340631
PubChem CID:	127262642
Reduced:	AlN2O2Cl3C36H54 (1)
Stoich.:	AB2C2D3E36F54 (1)
Weight, g/mol:	443.003085
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	2.65
IP(EA), eV:	-8.12(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

chlorogold;ethynyl(diphenyl)phosphanium

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.[Al+3].[Cl-].[Cl-].[Cl-]

DOS

IR

Vibrations