Geometry & MOs

Info

ID:

304952

PubChem CID:

124766353

Reduced:

N2O7C28H34 (1)

Stoich.:

A2B7C28D34 (1)

Weight, g/mol:

410.106706

ΔHf, kcal/mol:

-262.0

Dipole, Da:

5.0

IP(EA), eV:

 -8.44(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-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

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=C(C=C(C=C3)OC)OC)C(=O)N(C2=O)C4=CC=C(C=C4)OCC)C(=O)OCC

DOS

IR

Vibrations