Geometry & MOs

Info

ID:

304930

PubChem CID:

124766324

Reduced:

N2O3C13H17 (2)

Stoich.:

A2B3C13D17 (2)

Weight, g/mol:

396.148535

ΔHf, kcal/mol:

-177.13

Dipole, Da:

4.01

IP(EA), eV:

 -9.25(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H]2[C@@H]3C(=O)N([C@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC5CCCCC5)C[C@H]6CCCO6

DOS

IR

Vibrations