Geometry & MOs

Info

ID:

304940

PubChem CID:

124766335

Reduced:

N2O5C19H24 (1)

Stoich.:

A2B5C19D24 (1)

Weight, g/mol:

466.1904

ΔHf, kcal/mol:

-189.93

Dipole, Da:

4.43

IP(EA), eV:

 -9.27(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-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

CCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)C(=O)OCC

DOS

IR

Vibrations