Geometry & MOs

Info

ID:	145545
PubChem CID:	53542881
Reduced:	SO2F3N3H8C10 (1)
Stoich.:	AB2C3D3E8F10 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-163.1
Dipole, Da:	10.4
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-3-(2,4,6-trimethyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=CNN=C2)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations