Geometry & MOs

Info

ID:

54269

PubChem CID:

16957281

Reduced:

SO3N4C24H26 (1)

Stoich.:

AB3C4D24E26 (1)

Weight, g/mol:

440.13184

ΔHf, kcal/mol:

-47.39

Dipole, Da:

7.39

IP(EA), eV:

 -8.87(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4)C

DOS

IR

Vibrations