Geometry & MOs

Info

ID:

54659

PubChem CID:

17389056

Reduced:

ClSN2O4H21C24 (1)

Stoich.:

ABC2D4E21F24 (1)

Weight, g/mol:

542.05111

ΔHf, kcal/mol:

-87.49

Dipole, Da:

2.83

IP(EA), eV:

 -8.88(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-5-(3-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(C1C3=CC(=CC=C3)OC)C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S2)C

DOS

IR

Vibrations