Geometry & MOs

Info

ID:

85858

PubChem CID:

49879781

Reduced:

SN4O6C29H34 (1)

Stoich.:

AB4C6D29E34 (1)

Weight, g/mol:

656.11919

ΔHf, kcal/mol:

-147.51

Dipole, Da:

4.15

IP(EA), eV:

 -8.16(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)/C(=C\C4=CC=C(O4)N5CCN(CC5)C)/S3)C)C(=O)OC)OCC

DOS

IR

Vibrations