Geometry & MOs

Info

ID:

304951

PubChem CID:

124766352

Reduced:

N2O7C28H34 (1)

Stoich.:

A2B7C28D34 (1)

Weight, g/mol:

510.236601

ΔHf, kcal/mol:

-245.28

Dipole, Da:

3.94

IP(EA), eV:

 -8.35(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-1-(2,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxo-3-propyl-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