Geometry & MOs

Info

ID:

87181

PubChem CID:

49892925

Reduced:

INSCl3O4H17C25 (1)

Stoich.:

ABCD3E4F17G25 (1)

Weight, g/mol:

601.94695

ΔHf, kcal/mol:

-74.6

Dipole, Da:

3.34

IP(EA), eV:

 -9.07(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-bromo-4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations