Geometry & MOs

Info

ID:

87334

PubChem CID:

49894124

Reduced:

BrSCl2N2O4H17C25 (1)

Stoich.:

ABC2D2E4F17G25 (1)

Weight, g/mol:

559.177707

ΔHf, kcal/mol:

-77.65

Dipole, Da:

2.69

IP(EA), eV:

 -9.04(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]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(C(=C3)Br)OCC4=CC=CC=C4Cl)Cl)/SC2=O

DOS

IR

Vibrations