Geometry & MOs

Info

ID:	322503
PubChem CID:	126670294
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	384.16066
ΔH_f, kcal/mol:	-249.34
Dipole, Da:	3.89
IP(EA), eV:	-9.95(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-but-3-enyl-3-methoxyoxolan-2-yl]propane-1,2-diol

Drug info:

PubChemData

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CC(C[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC)CO

DOS

IR

Vibrations