Geometry & MOs

Info

ID:

171632

PubChem CID:

75408883

Reduced:

SN2O5C25H30 (1)

Stoich.:

AB2C5D25E30 (1)

Weight, g/mol:

652.04343

ΔHf, kcal/mol:

-154.73

Dipole, Da:

6.46

IP(EA), eV:

 -8.66(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)OC

DOS

IR

Vibrations