Geometry & MOs

Info

ID:	384122
PubChem CID:	134976377
Reduced:	BrPSCl3H23C27 (1)
Stoich.:	ABCD3E23F27 (1)
Weight, g/mol:	550.04148
ΔH_f, kcal/mol:	44.96
Dipole, Da:	4.74
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1,3-dithiolan-2-yl)ethyl-iodo-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations