Geometry & MOs

Info

ID:

304817

PubChem CID:

124766204

Reduced:

NO3H13C14 (2)

Stoich.:

AB3C13D14 (2)

Weight, g/mol:

486.179087

ΔHf, kcal/mol:

-172.42

Dipole, Da:

3.68

IP(EA), eV:

 -8.93(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-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(=C(C=C3)O)OC)C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations