Geometry & MOs

Info

ID:

304960

PubChem CID:

124766361

Reduced:

N4O5C31H38 (1)

Stoich.:

A4B5C31D38 (1)

Weight, g/mol:

494.205301

ΔHf, kcal/mol:

-71.56

Dipole, Da:

6.31

IP(EA), eV:

 -8.88(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-5-(3-acetylphenyl)-1-(3,4-dimethoxyphenyl)-3-ethyl-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)NC(C)(C)C)C5=CC=C(C=C5)C6CCCCC6

DOS

IR

Vibrations