Geometry & MOs

Info

ID:

87737

PubChem CID:

49896903

Reduced:

N2S2O7H22C29 (1)

Stoich.:

A2B2C7D22E29 (1)

Weight, g/mol:

587.07257

ΔHf, kcal/mol:

-160.6

Dipole, Da:

4.42

IP(EA), eV:

 -8.8(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations