Geometry & MOs

Info

ID:	87196
PubChem CID:	49893001
Reduced:	NSCl2I2O3H17C25 (1)
Stoich.:	ABC2D2E3F17G25 (1)
Weight, g/mol:	564.93171
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	5.5
IP(EA), eV:	-9.32(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)I

DOS

IR

Vibrations