Geometry & MOs

Info

ID:

88398

PubChem CID:

49903266

Reduced:

BrSN3O5H20C28 (1)

Stoich.:

ABC3D5E20F28 (1)

Weight, g/mol:

576.9517

ΔHf, kcal/mol:

-79.2

Dipole, Da:

2.49

IP(EA), eV:

 -8.72(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[3-[(2,6-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)/C=C\5/C(=O)N(C(=O)S5)CC6=CC=CC=C6Br

DOS

IR

Vibrations