Geometry & MOs

Info

ID:

88305

PubChem CID:

49902864

Reduced:

BrSN3O4H18C26 (1)

Stoich.:

ABC3D4E18F26 (1)

Weight, g/mol:

576.9517

ΔHf, kcal/mol:

23.37

Dipole, Da:

7.58

IP(EA), eV:

 -9.03(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations