Geometry & MOs

Info

ID:	128353
PubChem CID:	51040994
Reduced:	O7C22H24 (1)
Stoich.:	A7B22C24 (1)
Weight, g/mol:	518.157682
ΔH_f, kcal/mol:	-259.68
Dipole, Da:	7.03
IP(EA), eV:	-10.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-3,4-dibenzoyloxy-5-formyloxy-2,5-dimethyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]([C@@H]([C@@](O1)(C)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CO

DOS

IR

Vibrations