Geometry & MOs

Info

ID:	87573
PubChem CID:	49895578
Reduced:	SCl2N2O5H22C27 (1)
Stoich.:	AB2C2D5E22F27 (1)
Weight, g/mol:	485.02964
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	3.41
IP(EA), eV:	-9.12(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC(=O)NC4=CC=C(C=C4)Cl)OC)/SC2=O

DOS

IR

Vibrations