Geometry & MOs

Info

ID:	73378
PubChem CID:	48417565
Reduced:	SO4N5H9C10 (1)
Stoich.:	AB4C5D9E10 (1)
Weight, g/mol:	259.070539
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	3.36
IP(EA), eV:	-9.62(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(O1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations