Geometry & MOs

Info

ID:	231162
PubChem CID:	87572817
Reduced:	PSF3O3C25H52 (1)
Stoich.:	ABC3D3E25F52 (1)
Weight, g/mol:	812.529462
ΔH_f, kcal/mol:	-362.75
Dipole, Da:	25.22
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(disulfanyl)-3-hydroxycyclohexane-1,4-dione;[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCC)C(CCCC)(CCCC)[PH3+].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations