Geometry & MOs

Info

ID:	87037
PubChem CID:	49890831
Reduced:	FSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	490.01981
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	8.93
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations