Geometry & MOs

Info

ID:

302834

PubChem CID:

124397258

Reduced:

O2N3C24H27 (1)

Stoich.:

A2B3C24D27 (1)

Weight, g/mol:

520.203193

ΔHf, kcal/mol:

-41.38

Dipole, Da:

2.52

IP(EA), eV:

 -8.64(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5R)-2-[(4-ethoxy-3-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

CN1CCN(CC1)C(=O)C[C@H]2C3=C(C=C4CCCC4=C3)C(=O)N2C5=CC=CC=C5

DOS

IR

Vibrations