Geometry & MOs

Info

ID:	232455
PubChem CID:	87576221
Reduced:	N2S2O3H4C7 (1)
Stoich.:	A2B2C3D4E7 (1)
Weight, g/mol:	471.114044
ΔH_f, kcal/mol:	-33.78
Dipole, Da:	0.73
IP(EA), eV:	-9.4(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethylphenyl)-2-[4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C(=S)S1)N2C(=O)C=CC2=O

DOS

IR

Vibrations