Geometry & MOs

Info

ID:	88413
PubChem CID:	49903362
Reduced:	BrClFNSO3H16C24 (1)
Stoich.:	ABCDEF3G16H24 (1)
Weight, g/mol:	473.02964
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	6.46
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F)/SC2=O)Br

DOS

IR

Vibrations