Geometry & MOs

Info

ID:	88424
PubChem CID:	49903394
Reduced:	BrFSN3O3H19C27 (1)
Stoich.:	ABCD3E3F19G27 (1)
Weight, g/mol:	473.02964
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	5.48
IP(EA), eV:	-8.71(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[(3-ethoxy-4-hydroxy-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=CN(C4=CC=CC=C43)CC(=O)NC5=CC=C(C=C5)F)/SC2=O)Br

DOS

IR

Vibrations