Geometry & MOs

Info

ID:

218689

PubChem CID:

85089810

Reduced:

FNSO4C28H30 (1)

Stoich.:

ABCD4E28F30 (1)

Weight, g/mol:

495.165995

ΔHf, kcal/mol:

-152.49

Dipole, Da:

5.41

IP(EA), eV:

 -8.47(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 11-chloro-2',4,5-trimethoxy-3,4'-dioxo-7-propanoylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1'-carboxylate

Drug info:

PubChemData

Smile

CC1CCCN1C(C)COC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4F)O)C5=CC=C(C=C5)O

DOS

IR

Vibrations