Geometry & MOs

Info

ID:	195523
PubChem CID:	78695201
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	371.046142
ΔH_f, kcal/mol:	-92.2
Dipole, Da:	2.91
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[(3,4-difluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3(C1)C(=O)N(C(=O)N3)CC(=O)OCC4=CC=CC=C4C#N

DOS

IR

Vibrations