Geometry & MOs

Info

ID:

87172

PubChem CID:

49892854

Reduced:

SCl2N2O5H16C24 (1)

Stoich.:

AB2C2D5E16F24 (1)

Weight, g/mol:

513.056835

ΔHf, kcal/mol:

-53.53

Dipole, Da:

2.89

IP(EA), eV:

 -9.37(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations