Geometry & MOs

Info

ID:	309045
PubChem CID:	126535408
Reduced:	ClSN3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	398.106214
ΔH_f, kcal/mol:	12.17
Dipole, Da:	5.97
IP(EA), eV:	-8.85(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]-7-thiophen-3-ylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCCCl)C2CCCC2

DOS

IR

Vibrations