Geometry & MOs

Info

ID:

134390

PubChem CID:

51689516

Reduced:

NO12C19H27 (1)

Stoich.:

AB12C19D27 (1)

Weight, g/mol:

444.05724

ΔHf, kcal/mol:

-513.65

Dipole, Da:

4.23

IP(EA), eV:

 -9.17(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3S,4R)-6-bromo-2-oxo-4-[(2S)-1-oxo-1-phenylbutan-2-yl]-3,4-dihydrochromene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)N[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O

DOS

IR

Vibrations