Geometry & MOs

Info

ID:	165200
PubChem CID:	74516239
Reduced:	FOH9C12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	154.020084
ΔH_f, kcal/mol:	-88.67
Dipole, Da:	2.1
IP(EA), eV:	-9.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1,3-thiazolidin-2-ylidene)propanenitrile

Drug info:

PubChemData

Smile

CC(=C(CC(=O)C1=CC=C(C=C1)F)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations