Geometry & MOs

Info

ID:	87011
PubChem CID:	49890483
Reduced:	SN4O6C18H20 (1)
Stoich.:	AB4C6D18E20 (1)
Weight, g/mol:	436.83912
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	5.2
IP(EA), eV:	-9.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-dibromo-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=C(C=C2/C=C\3/C(=O)NC(=O)S3)[N+](=O)[O-])N4CCOCC4

DOS

IR

Vibrations