Geometry & MOs

Info

ID:	88402
PubChem CID:	49903307
Reduced:	BrClINSO5H16C25 (1)
Stoich.:	ABCDEF5G16H25 (1)
Weight, g/mol:	584.98415
ΔH_f, kcal/mol:	-89.53
Dipole, Da:	2.23
IP(EA), eV:	-9.42(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations