Geometry & MOs

Info

ID:	384944
PubChem CID:	134978005
Reduced:	BrPSH26C27 (1)
Stoich.:	ABCD26E27 (1)
Weight, g/mol:	478.03811
ΔH_f, kcal/mol:	76.5
Dipole, Da:	5.47
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo-(3-methylsulfanylpropyl)-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

CC(CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Br)SC4=CC=CC=C4

DOS

IR

Vibrations