Geometry & MOs

Info

ID:	384299
PubChem CID:	134976707
Reduced:	NSO6C29H31 (1)
Stoich.:	ABC6D29E31 (1)
Weight, g/mol:	460.177902
ΔH_f, kcal/mol:	-168.79
Dipole, Da:	9.25
IP(EA), eV:	-8.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hexyl(triphenyl)-lambda5-phosphanyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](N([C@H]1C2=CC(=CC=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations