Geometry & MOs

Info

ID:	88197
PubChem CID:	49902261
Reduced:	BrINS2O6H21C26 (1)
Stoich.:	ABCD2E6F21G26 (1)
Weight, g/mol:	523.04529
ΔH_f, kcal/mol:	-138.07
Dipole, Da:	7.85
IP(EA), eV:	-9.12(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[2-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations