Geometry & MOs

Info

ID:

304411

PubChem CID:

124587061

Reduced:

SBr2N2O5H20C25 (1)

Stoich.:

AB2C2D5E20F25 (1)

Weight, g/mol:

736.08386

ΔHf, kcal/mol:

-110.48

Dipole, Da:

5.65

IP(EA), eV:

 -8.37(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E,5S)-2-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-7-methyl-5-(4-methyl-3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2/C(=C/C3=CC(=CC=C3)Br)/C(=C(N2C(=O)[C@@H](S1)C4=CC(=CC=C4)Br)C(=O)OC)N

DOS

IR

Vibrations