Geometry & MOs

Info

ID:

304348

PubChem CID:

124555309

Reduced:

ClS2N3O5H24C26 (1)

Stoich.:

AB2C3D5E24F26 (1)

Weight, g/mol:

526.172642

ΔHf, kcal/mol:

-128.51

Dipole, Da:

7.14

IP(EA), eV:

 -8.48(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5S)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2-[(4-propan-2-ylphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=CC=CC=C32)N(C4=CC=C(C=C4)Cl)S(=O)(=O)C

DOS

IR

Vibrations