Geometry & MOs

Info

ID:

87770

PubChem CID:

49897173

Reduced:

IS2N3O10H20C23 (1)

Stoich.:

AB2C3D10E20F23 (1)

Weight, g/mol:

559.04127

ΔHf, kcal/mol:

-226.2

Dipole, Da:

4.4

IP(EA), eV:

 -9.45(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)I)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations