Geometry & MOs

Info

ID:

87336

PubChem CID:

49894153

Reduced:

ClSN3O6H26C29 (1)

Stoich.:

ABC3D6E26F29 (1)

Weight, g/mol:

609.05692

ΔHf, kcal/mol:

-169.75

Dipole, Da:

5.69

IP(EA), eV:

 -8.92(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-(2-anilino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]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)NC3=CC=CC=C3)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations