Geometry & MOs

Info

ID:	392561
PubChem CID:	135017170
Reduced:	O15C42H50 (1)
Stoich.:	A15B42C50 (1)
Weight, g/mol:	506.139924
ΔH_f, kcal/mol:	-586.08
Dipole, Da:	3.92
IP(EA), eV:	-9.2(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-3,4-dibenzoyloxy-5-ethylsulfanyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC2[C@H](C(C([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations