Geometry & MOs

Info

ID:

87745

PubChem CID:

49896994

Reduced:

ClS2N3O9C26H26 (1)

Stoich.:

AB2C3D9E26F26 (1)

Weight, g/mol:

530.187543

ΔHf, kcal/mol:

-313.65

Dipole, Da:

7.82

IP(EA), eV:

 -8.78(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)Cl)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations