Geometry & MOs

Info

ID:

222797

PubChem CID:

85332529

Reduced:

FeSiN3O6C23H35 (1)

Stoich.:

ABC3D6E23F35 (1)

Weight, g/mol:

533.039006

ΔHf, kcal/mol:

-66.15

Dipole, Da:

6.0

IP(EA), eV:

 -7.62(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-oxo-5-[[4-(2,2,3,3,3-pentafluoropropoxy)-3-phenylmethoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(OC1CO[Si](C)(C)C(C)(C)C(C)C)N2C=CC(=NC2=O)N.[C-]#[O+].[Fe+3]

DOS

IR

Vibrations