Geometry & MOs

Info

ID:

304863

PubChem CID:

124766251

Reduced:

FN2O5H19C20 (1)

Stoich.:

AB2C5D19E20 (1)

Weight, g/mol:

386.1278

ΔHf, kcal/mol:

-183.82

Dipole, Da:

2.8

IP(EA), eV:

 -9.19(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-5-(4-fluorophenyl)-1-(furan-2-yl)-3-methyl-4,6-dioxo-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=CO3)C(=O)N(C2=O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations