Geometry & MOs

Info

ID:

304447

PubChem CID:

124598896

Reduced:

SCl2N3O5H29C34 (1)

Stoich.:

AB2C3D5E29F34 (1)

Weight, g/mol:

682.054

ΔHf, kcal/mol:

-100.44

Dipole, Da:

6.44

IP(EA), eV:

 -8.6(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5S)-2-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-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([C@@H]1C3=C(C=C(C=C3)OC)OC)C(=O)/C(=C/C4=CN(C5=CC=CC=C54)CC6=C(C=C(C=C6)Cl)Cl)/S2)C

DOS

IR

Vibrations