Geometry & MOs

Info

ID:

304941

PubChem CID:

124766339

Reduced:

FN2O5C26H27 (1)

Stoich.:

AB2C5D26E27 (1)

Weight, g/mol:

466.1904

ΔHf, kcal/mol:

-213.4

Dipole, Da:

6.4

IP(EA), eV:

 -9.49(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aR)-5-(3-acetylphenyl)-3-butyl-1-(3-fluorophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)C)C(=O)OC

DOS

IR

Vibrations