Geometry & MOs

Info

ID:

86641

PubChem CID:

49888064

Reduced:

ClSN2O6H11C18 (1)

Stoich.:

ABC2D6E11F18 (1)

Weight, g/mol:

544.122356

ΔHf, kcal/mol:

-88.46

Dipole, Da:

5.31

IP(EA), eV:

 -9.49(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)[N+](=O)[O-]

DOS

IR

Vibrations