Geometry & MOs

Info

ID:	192440
PubChem CID:	78269006
Reduced:	FSO3N6H21C22 (1)
Stoich.:	ABC3D6E21F22 (1)
Weight, g/mol:	423.023515
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	1.59
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

5-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4)N

DOS

IR

Vibrations