Geometry & MOs

Info

ID:	342523
PubChem CID:	127265678
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	60.41
Dipole, Da:	6.44
IP(EA), eV:	-9.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(furan-2-yl)-2-oxoethylidene]-5-[[1-(2-methylpropyl)pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CN2C(=NN=N2)C=CC3=CC=CC=C3

DOS

IR

Vibrations