Geometry & MOs

Info

ID:

304778

PubChem CID:

124766163

Reduced:

NO2C13H15 (2)

Stoich.:

AB2C13D15 (2)

Weight, g/mol:

334.132885

ΔHf, kcal/mol:

-131.36

Dipole, Da:

4.02

IP(EA), eV:

 -8.78(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aS)-5-ethyl-1-(2-fluorophenyl)-3-methyl-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=C(C=C3)C)C(=O)N(C2=O)C4=CC=C(C=C4)C)C(=O)OC

DOS

IR

Vibrations