Geometry & MOs

Info

ID:	145173
PubChem CID:	53473646
Reduced:	OC5H8 (5)
Stoich.:	AB5C8 (5)
Weight, g/mol:	506.157682
ΔH_f, kcal/mol:	-249.06
Dipole, Da:	3.49
IP(EA), eV:	-9.18(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R,6R)-3,4-dibenzoyloxy-5-hydroxy-6-methoxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C/C=C(/[C@@H](C)[C@H]([C@H](C)[C@@H]([C@@H](C)[C@@H](C)O)O)O[C@@H](C)C1=CC=CC=C1)\OC(=O)C(C)C

DOS

IR

Vibrations