Geometry & MOs

Info

ID:	408738
PubChem CID:	135081506
Reduced:	AuClPO5H16C20 (2)
Stoich.:	ABCD5E16F20 (2)
Weight, g/mol:	303.093877
ΔH_f, kcal/mol:	135.59
Dipole, Da:	27.4
IP(EA), eV:	-9.18(-3.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(triphenyl-lambda5-phosphanylidene)ethanone

Drug info:

Smile

C1=CC=C(C=C1)[P+]([CH-][C-]=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[P+]([CH-][C-]=O)(C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Au+].[Au+]

DOS

IR

Vibrations