Geometry & MOs

Info

ID:

85660

PubChem CID:

49877889

Reduced:

FON2H27C28 (1)

Stoich.:

ABC2D27E28 (1)

Weight, g/mol:

545.125671

ΔHf, kcal/mol:

-8.56

Dipole, Da:

4.85

IP(EA), eV:

 -8.83(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)F)/C(=O)N2C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations