Geometry & MOs

Info

ID:	384397
PubChem CID:	134976912
Reduced:	PSO7C24H24 (1)
Stoich.:	ABC7D24E24 (1)
Weight, g/mol:	489.165815
ΔH_f, kcal/mol:	-210.45
Dipole, Da:	13.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767923
Charge, e:	0

Chem-info

IUPAC name:

3-[chloro(triphenyl)-lambda5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C(C(C(=O)OC)S(=O)(=O)O)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations