Geometry & MOs

Info

ID:

144485

PubChem CID:

53375907

Reduced:

SN2O3C16H18 (2)

Stoich.:

AB2C3D16E18 (2)

Weight, g/mol:

445.107183

ΔHf, kcal/mol:

-182.19

Dipole, Da:

5.07

IP(EA), eV:

 -8.98(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,5Z)-5-[(2,4-difluorophenyl)methylidene]-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)OC/C=C/COC3=CC=CC(=C3)C4C(=C(NC(=S)N4)C)C(=O)OCC)C

DOS

IR

Vibrations