Geometry & MOs

Info

ID:

87482

PubChem CID:

49894919

Reduced:

ISN2O6H23C27 (1)

Stoich.:

ABC2D6E23F27 (1)

Weight, g/mol:

436.101227

ΔHf, kcal/mol:

-68.94

Dipole, Da:

6.25

IP(EA), eV:

 -9.11(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations