Geometry & MOs

Info

ID:

54268

PubChem CID:

16957276

Reduced:

SO3N5C23H25 (1)

Stoich.:

AB3C5D23E25 (1)

Weight, g/mol:

450.172562

ΔHf, kcal/mol:

-24.64

Dipole, Da:

5.68

IP(EA), eV:

 -8.16(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)/C(=C\C4=CN(N=C4)C)/S2)C

DOS

IR

Vibrations