Geometry & MOs

Info

ID:	73161
PubChem CID:	48417120
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	333.089561
ΔH_f, kcal/mol:	45.27
Dipole, Da:	6.86
IP(EA), eV:	-9.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations