Geometry & MOs

Info

ID:

87190

PubChem CID:

49892969

Reduced:

FSCl2N2O5H15C24 (1)

Stoich.:

ABC2D2E5F15G24 (1)

Weight, g/mol:

517.031763

ΔHf, kcal/mol:

-100.59

Dipole, Da:

8.81

IP(EA), eV:

 -9.57(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations