Geometry & MOs

Info

ID:

304330

PubChem CID:

124530891

Reduced:

ClSN2F3O4H20C25 (1)

Stoich.:

ABC2D3E4F20G25 (1)

Weight, g/mol:

598.11371

ΔHf, kcal/mol:

-239.67

Dipole, Da:

6.25

IP(EA), eV:

 -9.33(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5R)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=C\2/C(=O)N3[C@@H](C(=C(N=C3S2)C(F)(F)F)C(=O)OCC)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations