Geometry & MOs

Info

ID:

304794

PubChem CID:

124766180

Reduced:

O2F3N3H20C22 (1)

Stoich.:

A2B3C3D20E22 (1)

Weight, g/mol:

396.148535

ΔHf, kcal/mol:

-163.74

Dipole, Da:

3.2

IP(EA), eV:

 -9.36(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)NCC3=CN=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations