Geometry & MOs

Info

ID:	87717
PubChem CID:	49896762
Reduced:	NSBr2Cl2O3H17C25 (1)
Stoich.:	ABC2D2E3F17G25 (1)
Weight, g/mol:	590.93377
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	1.51
IP(EA), eV:	-9.41(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=C(C=C(C=C4)Cl)Cl)Br)/SC2=O

DOS

IR

Vibrations