Geometry & MOs

Info

ID:	336984
PubChem CID:	127256549
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	21.15
Dipole, Da:	1.57
IP(EA), eV:	-8.61(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(5Z)-5-[(4-acetamidoanilino)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate

Drug info:

PubChemData

Smile

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)O

DOS

IR

Vibrations