Geometry & MOs

Info

ID:

88061

PubChem CID:

49900368

Reduced:

NSCl3O5H16C25 (1)

Stoich.:

ABC3D5E16F25 (1)

Weight, g/mol:

604.983

ΔHf, kcal/mol:

-127.92

Dipole, Da:

2.01

IP(EA), eV:

 -9.13(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-[(3,4-dichlorophenyl)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=CC=C3Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations