Geometry & MOs

Info

ID:

304451

PubChem CID:

124599182

Reduced:

ClISF3N3O5H22C32 (1)

Stoich.:

ABCD3E3F5G22H32 (1)

Weight, g/mol:

621.00667

ΔHf, kcal/mol:

-193.57

Dipole, Da:

7.83

IP(EA), eV:

 -9.39(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5R)-2-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=C(C(=CC(=C4)I)OC)OCC5=CC=C(C=C5)C#N)/S2)C(F)(F)F

DOS

IR

Vibrations