Geometry & MOs

Info

ID:	88187
PubChem CID:	49902221
Reduced:	ClNS2O7H22C26 (1)
Stoich.:	ABC2D7E22F26 (1)
Weight, g/mol:	586.8224
ΔH_f, kcal/mol:	-202.29
Dipole, Da:	9.49
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3,5-dibromo-4-prop-2-enoxyphenyl)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(=CC=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations