Geometry & MOs

Info

ID:

87235

PubChem CID:

49893393

Reduced:

NSCl2O4H21C29 (1)

Stoich.:

ABC2D4E21F29 (1)

Weight, g/mol:

514.01174

ΔHf, kcal/mol:

-67.28

Dipole, Da:

4.97

IP(EA), eV:

 -8.85(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations