Geometry & MOs

Info

ID:	88178
PubChem CID:	49902174
Reduced:	BrINSO6H15C20 (1)
Stoich.:	ABCDE6F15G20 (1)
Weight, g/mol:	493.03473
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	2.63
IP(EA), eV:	-9.75(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OCC(=O)O

DOS

IR

Vibrations