Geometry & MOs

Info

ID:	401096
PubChem CID:	135050104
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	590.157031
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	3.45
IP(EA), eV:	-9.26(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[C@H](CCC=C(C)C)[C@H]1CC(=O)[C@@](C1)(C)C(=O)OC

DOS

IR

Vibrations