Geometry & MOs

Info

ID:	88463
PubChem CID:	49903629
Reduced:	SBr2N2O6H12C18 (1)
Stoich.:	AB2C2D6E12F18 (1)
Weight, g/mol:	527.88132
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	5.04
IP(EA), eV:	-9.24(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-dibromo-4-methoxyphenyl)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-])Br)Br)O

DOS

IR

Vibrations