Geometry & MOs

Info

ID:	73179
PubChem CID:	48417153
Reduced:	SO3N5C15H15 (1)
Stoich.:	AB3C5D15E15 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-14.7
Dipole, Da:	2.07
IP(EA), eV:	-9.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-cyanopyrazole-1-carbonyl)-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations