Geometry & MOs

Info

ID:	87282
PubChem CID:	49893660
Reduced:	BrClN2S2O7H18C25 (1)
Stoich.:	ABC2D2E7F18G25 (1)
Weight, g/mol:	443.01908
ΔH_f, kcal/mol:	-184.02
Dipole, Da:	7.3
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations