Geometry & MOs

Info

ID:

87980

PubChem CID:

49899323

Reduced:

SCl2N2O8H18C26 (1)

Stoich.:

AB2C2D8E18F26 (1)

Weight, g/mol:

644.84017

ΔHf, kcal/mol:

-160.56

Dipole, Da:

8.29

IP(EA), eV:

 -9.67(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations