Geometry & MOs

Info

ID:	124044
PubChem CID:	50870898
Reduced:	NBr2O2S2H23C27 (1)
Stoich.:	AB2C2D2E23F27 (1)
Weight, g/mol:	516.95503
ΔH_f, kcal/mol:	23.41
Dipole, Da:	1.81
IP(EA), eV:	-8.9(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC4=CC=CC5=CC=CC=C54)Br)/SC2=S

DOS

IR

Vibrations