Geometry & MOs

Info

ID:	88421
PubChem CID:	49903383
Reduced:	SBr2N2O5H16C24 (1)
Stoich.:	AB2C2D5E16F24 (1)
Weight, g/mol:	480.99834
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	5.05
IP(EA), eV:	-9.39(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O)Br

DOS

IR

Vibrations