Geometry & MOs

Info

ID:	170320
PubChem CID:	75216465
Reduced:	ClON6H23C24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	347.101371
ΔH_f, kcal/mol:	108.89
Dipole, Da:	3.87
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=NNC2=NC3=CC(=NN3C(=C2)N4CCOCC4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations