Geometry & MOs

Info

ID:

134307

PubChem CID:

51677406

Reduced:

O3N5C23H25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

468.181098

ΔHf, kcal/mol:

-0.47

Dipole, Da:

2.76

IP(EA), eV:

 -8.53(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-[(2S)-2-naphthalen-1-yl-4,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@H]1C2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations