Geometry & MOs

Info

ID:

88509

PubChem CID:

49903966

Reduced:

ClS2N3O9H22C27 (1)

Stoich.:

AB2C3D9E22F27 (1)

Weight, g/mol:

460.109293

ΔHf, kcal/mol:

-211.43

Dipole, Da:

7.26

IP(EA), eV:

 -8.8(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-[(2-nitrophenyl)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=C3[N+](=O)[O-])Cl)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations