Geometry & MOs

Info

ID:

87814

PubChem CID:

49897679

Reduced:

ClFSN2O4H14C22 (1)

Stoich.:

ABCD2E4F14G22 (1)

Weight, g/mol:

559.177707

ΔHf, kcal/mol:

-117.48

Dipole, Da:

3.94

IP(EA), eV:

 -8.99(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-methoxy-4-[2-oxo-2-(2-propan-2-ylanilino)ethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)F)Cl)/SC2=O

DOS

IR

Vibrations