Geometry & MOs

Info

ID:

86628

PubChem CID:

49887795

Reduced:

BrClNSO4H17C28 (1)

Stoich.:

ABCDE4F17G28 (1)

Weight, g/mol:

528.02739

ΔHf, kcal/mol:

-54.49

Dipole, Da:

5.43

IP(EA), eV:

 -9.39(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Cl)Br

DOS

IR

Vibrations