Geometry & MOs

Info

ID:	88454
PubChem CID:	49903591
Reduced:	BrSN2O5H17C24 (1)
Stoich.:	ABC2D5E17F24 (1)
Weight, g/mol:	568.98923
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	9.23
IP(EA), eV:	-9.47(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Br)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations