Geometry & MOs

Info

ID:	231584
PubChem CID:	87574214
Reduced:	ClN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	614.142067
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	4.82
IP(EA), eV:	-9.2(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-(2-phenylphenyl)-[1-[phenyl-(2-phenylphenyl)phosphinothioyl]ethyl]-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=CN=C2Cl)C#N)OC

DOS

IR

Vibrations