Geometry & MOs

Info

ID:	182933
PubChem CID:	76958358
Reduced:	PSO3C11H17 (2)
Stoich.:	ABC3D11E17 (2)
Weight, g/mol:	540.511761
ΔH_f, kcal/mol:	-386.51
Dipole, Da:	1.78
IP(EA), eV:	-9.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-tetradecan-4-yl] propanoate;[(4R)-tetradecan-4-yl] propanoate

Drug info:

PubChemData

Smile

CCCS[P@@](=O)(OCC)OC1=CC=CC=C1.CCCSP(=O)(OCC)OC1=CC=CC=C1

DOS

IR

Vibrations