Geometry & MOs

Info

ID:	87277
PubChem CID:	49893568
Reduced:	NSBr2Cl2O3H13C20 (1)
Stoich.:	ABC2D2E3F13G20 (1)
Weight, g/mol:	496.92548
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	1.58
IP(EA), eV:	-9.61(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-prop-2-enoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C=CCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations