Geometry & MOs

Info

ID:	88393
PubChem CID:	49903223
Reduced:	BrNSCl2O4H14C24 (1)
Stoich.:	ABCD2E4F14G24 (1)
Weight, g/mol:	407.94156
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	2.14
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)/SC2=O)Br

DOS

IR

Vibrations