Geometry & MOs

Info

ID:	171104
PubChem CID:	75329134
Reduced:	SCl2N2O5H22C27 (1)
Stoich.:	AB2C2D5E22F27 (1)
Weight, g/mol:	407.94156
ΔH_f, kcal/mol:	-133.22
Dipole, Da:	5.52
IP(EA), eV:	-8.9(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)NC4=CC=C(C=C4)Cl)OC)SC2=O

DOS

IR

Vibrations