Geometry & MOs

Info

ID:	384696
PubChem CID:	134977491
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	702.323642
ΔH_f, kcal/mol:	-138.6
Dipole, Da:	2.23
IP(EA), eV:	-9.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-hexanoyloxy-3-[[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-sulfanylphosphinothioyl]oxypropan-2-yl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCC#CC#C[C@@H](CCCCC(=O)OC)OC(=O)C

DOS

IR

Vibrations