Geometry & MOs

Info

ID:	73065
PubChem CID:	48416925
Reduced:	SO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	287.081853
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	6.54
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations