Geometry & MOs

Info

ID:	88457
PubChem CID:	49903609
Reduced:	FSN2O6H19C25 (1)
Stoich.:	ABC2D6E19F25 (1)
Weight, g/mol:	433.95721
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	5.62
IP(EA), eV:	-8.88(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OCC4=CC=C(C=C4)F

DOS

IR

Vibrations