Geometry & MOs

Info

ID:

171634

PubChem CID:

75408902

Reduced:

SN3O8H29C32 (1)

Stoich.:

AB3C8D29E32 (1)

Weight, g/mol:

602.07223

ΔHf, kcal/mol:

-129.02

Dipole, Da:

5.4

IP(EA), eV:

 -8.39(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-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(=C(C=C3)OC)OC)C(=O)/C(=C\C4=CC(=CC=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])/S2)C

DOS

IR

Vibrations