Geometry & MOs

Info

ID:	164199
PubChem CID:	74382270
Reduced:	STlH2 (1)
Stoich.:	ABC2 (1)
Weight, g/mol:	752.543849
ΔH_f, kcal/mol:	7.62
Dipole, Da:	2.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.751183
Charge, e:	0

Chem-info

IUPAC name:

[1-hexadecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

[S-2].[Tl+]

DOS

IR

Vibrations