Geometry & MOs

Info

ID:

304707

PubChem CID:

124766080

Reduced:

N3O6C28H33 (1)

Stoich.:

A3B6C28D33 (1)

Weight, g/mol:

507.236936

ΔHf, kcal/mol:

-188.06

Dipole, Da:

5.86

IP(EA), eV:

 -8.37(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(dimethylamino)phenyl]-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=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)C(=O)OCC

DOS

IR

Vibrations