Geometry & MOs

Info

ID:

304953

PubChem CID:

124766354

Reduced:

ClSN2O4C19H23 (1)

Stoich.:

ABC2D4E19F23 (1)

Weight, g/mol:

410.106706

ΔHf, kcal/mol:

-144.38

Dipole, Da:

1.45

IP(EA), eV:

 -8.69(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)CCSC

DOS

IR

Vibrations