Geometry & MOs

Info

ID:	88458
PubChem CID:	49903611
Reduced:	BrSN2O5H11C17 (1)
Stoich.:	ABC2D5E11F17 (1)
Weight, g/mol:	568.98923
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	6.92
IP(EA), eV:	-9.48(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-bromo-2-[(4-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(=C(C=C3)O)Br)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations