Geometry & MOs

Info

ID:	88435
PubChem CID:	49903511
Reduced:	BrSN2O6H23C24 (1)
Stoich.:	ABC2D6E23F24 (1)
Weight, g/mol:	584.91064
ΔH_f, kcal/mol:	-172.19
Dipole, Da:	1.34
IP(EA), eV:	-9.08(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)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=CC=C3Br)OCC(=O)N4CCOCC4

DOS

IR

Vibrations