Geometry & MOs

Info

ID:	87494
PubChem CID:	49894996
Reduced:	NSO5H25C27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	404.98344
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	4.27
IP(EA), eV:	-9.1(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4C

DOS

IR

Vibrations