Geometry & MOs

Info

ID:

87164

PubChem CID:

49892810

Reduced:

BrSCl2N2F3O5H12C24 (1)

Stoich.:

ABC2D2E3F5G12H24 (1)

Weight, g/mol:

597.033512

ΔHf, kcal/mol:

-196.91

Dipole, Da:

5.31

IP(EA), eV:

 -9.68(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations