Geometry & MOs

Info

ID:	214722
PubChem CID:	85083483
Reduced:	NPSO8C27H57 (1)
Stoich.:	ABCD8E27F57 (1)
Weight, g/mol:	586.05536
ΔH_f, kcal/mol:	-430.47
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.771037
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-5-iodo-2-[(4-methylphenyl)sulfonyloxymethyl]-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OS(=O)(=O)C

DOS

IR

Vibrations