Geometry & MOs

Info

ID:

85673

PubChem CID:

49877950

Reduced:

BrSN2O6C27H27 (1)

Stoich.:

ABC2D6E27F27 (1)

Weight, g/mol:

586.07732

ΔHf, kcal/mol:

-158.01

Dipole, Da:

4.48

IP(EA), eV:

 -8.75(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=CC=C4)OC)Br)OC

DOS

IR

Vibrations