Geometry & MOs

Info

ID:	88236
PubChem CID:	49902495
Reduced:	NSBr2O3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	586.92629
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	3.96
IP(EA), eV:	-9.11(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)Br)/SC2=O)Br

DOS

IR

Vibrations