Geometry & MOs

Info

ID:	88283
PubChem CID:	49902734
Reduced:	BrClFNSO2H10C17 (1)
Stoich.:	ABCDEF2G10H17 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	4.32
IP(EA), eV:	-9.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)F

DOS

IR

Vibrations