Geometry & MOs

Info

ID:	123628
PubChem CID:	50856713
Reduced:	Br2O2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	461.140927
ΔH_f, kcal/mol:	-16.37
Dipole, Da:	8.25
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C(C)C)/C=N\NC(=O)C2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations