Geometry & MOs

Info

ID:	165290
PubChem CID:	74527368
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	321.085721
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	4.69
IP(EA), eV:	-8.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxypropyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=CC=CN2C)SC1=NC3=CC(=CC=C3)O

DOS

IR

Vibrations