Geometry & MOs

Info

ID:

171134

PubChem CID:

75332188

Reduced:

ClFSN3O8H13C24 (1)

Stoich.:

ABCD3E8F13G24 (1)

Weight, g/mol:

520.982226

ΔHf, kcal/mol:

-121.68

Dipole, Da:

3.12

IP(EA), eV:

 -9.61(-2.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])SC2=O)F

DOS

IR

Vibrations