Geometry & MOs

Info

ID:	87194
PubChem CID:	49892985
Reduced:	BrFNSCl2O3H15C24 (1)
Stoich.:	ABCDE2F3G15H24 (1)
Weight, g/mol:	506.046998
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	4.11
IP(EA), eV:	-9.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br)F

DOS

IR

Vibrations