Geometry & MOs

Info

ID:

134308

PubChem CID:

51677453

Reduced:

NO5H26C29 (1)

Stoich.:

AB5C26D29 (1)

Weight, g/mol:

469.188923

ΔHf, kcal/mol:

-94.94

Dipole, Da:

8.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.073247

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-4-[hydroxy-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylidene]-5-naphthalen-1-yl-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(O1)C=CC(=C2)C(=C3[C@@H](N(C(=O)C3=O)C[C@@H]4CCCO4)C5=CC=CC6=CC=CC=C65)[O-]

DOS

IR

Vibrations