Geometry & MOs

Info

ID:	87279
PubChem CID:	49893640
Reduced:	NSO5H25C31 (1)
Stoich.:	ABC5D25E31 (1)
Weight, g/mol:	413.00851
ΔH_f, kcal/mol:	-101.01
Dipole, Da:	4.87
IP(EA), eV:	-8.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-[(4-methylphenyl)methyl]-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)C)OC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations