Geometry & MOs

Info

ID:

87366

PubChem CID:

49894323

Reduced:

ClISN3O6H25C29 (1)

Stoich.:

ABCD3E6F25G29 (1)

Weight, g/mol:

445.049919

ΔHf, kcal/mol:

-153.37

Dipole, Da:

3.84

IP(EA), eV:

 -8.89(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]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)I)OCC(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations