Geometry & MOs

Info

ID:

87248

PubChem CID:

49893437

Reduced:

BrNSCl2O5H16C25 (1)

Stoich.:

ABCD2E5F16G25 (1)

Weight, g/mol:

656.94406

ΔHf, kcal/mol:

-114.78

Dipole, Da:

6.62

IP(EA), eV:

 -9.14(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations