Geometry & MOs

Info

ID:

304816

PubChem CID:

124766203

Reduced:

N2O6H26C29 (1)

Stoich.:

A2B6C26D29 (1)

Weight, g/mol:

486.179087

ΔHf, kcal/mol:

-161.65

Dipole, Da:

3.48

IP(EA), eV:

 -8.64(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-1-(4-hydroxy-3-methoxyphenyl)-4,6-dioxo-3,5-diphenyl-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=CC=C3C)C(=O)N(C2=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

DOS

IR

Vibrations