Geometry & MOs

Info

ID:	88299
PubChem CID:	49902819
Reduced:	BrINSO4H15C21 (1)
Stoich.:	ABCDE4F15G21 (1)
Weight, g/mol:	440.9646
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	6.26
IP(EA), eV:	-8.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-(trifluoromethyl)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#C

DOS

IR

Vibrations