Geometry & MOs

Info

ID:

304813

PubChem CID:

124766199

Reduced:

NO4H14C15 (2)

Stoich.:

AB4C14D15 (2)

Weight, g/mol:

451.210721

ΔHf, kcal/mol:

-216.99

Dipole, Da:

1.87

IP(EA), eV:

 -8.38(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-1-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5)[C@](N2)(C6=CC=CC=C6)C(=O)OC)OC

DOS

IR

Vibrations