Geometry & MOs

Info

ID:	88293
PubChem CID:	49902800
Reduced:	NSBr2O4H23C30 (1)
Stoich.:	ABC2D4E23F30 (1)
Weight, g/mol:	445.03473
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	3.47
IP(EA), eV:	-8.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2-butan-2-yloxyphenyl)methylidene]-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)Br)Br)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations