Geometry & MOs

Info

ID:

336580

PubChem CID:

127255587

Reduced:

NO18H47C49 (1)

Stoich.:

AB18C47D49 (1)

Weight, g/mol:

376.132217

ΔHf, kcal/mol:

-616.78

Dipole, Da:

11.42

IP(EA), eV:

 -8.94(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R)-3-benzoyloxy-4-fluoro-2,5-dihydroxy-4-methylpentyl] benzoate

Drug info:

PubChemData

Smile

CC(CN(C)C)C(=O)C1=CC(=CC=C1)OC.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations