Geometry & MOs

Info

ID:

87005

PubChem CID:

49890452

Reduced:

FSN3O3H24C29 (1)

Stoich.:

ABC3D3E24F29 (1)

Weight, g/mol:

590.023676

ΔHf, kcal/mol:

-70.78

Dipole, Da:

5.05

IP(EA), eV:

 -8.89(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations