Geometry & MOs

Info

ID:	88247
PubChem CID:	49902588
Reduced:	BrINSO6H21C27 (1)
Stoich.:	ABCDE6F21G27 (1)
Weight, g/mol:	524.00416
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	6.71
IP(EA), eV:	-9.18(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations