Geometry & MOs

Info

ID:

224130

PubChem CID:

85338553

Reduced:

BrS2N4O5C30H37 (1)

Stoich.:

AB2C4D5E30F37 (1)

Weight, g/mol:

679.131062

ΔHf, kcal/mol:

-159.25

Dipole, Da:

9.66

IP(EA), eV:

 -9.06(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3-(3,5-dichlorophenoxy)phenyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNCC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

DOS

IR

Vibrations