Geometry & MOs

Info

ID:	171224
PubChem CID:	75345517
Reduced:	BrClNSO5H17C20 (1)
Stoich.:	ABCDE5F17G20 (1)
Weight, g/mol:	547.042328
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	5.07
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-[2-(2-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3Cl)Br)O

DOS

IR

Vibrations