Geometry & MOs

Info

ID:	235959
PubChem CID:	92711180
Reduced:	FSN3O3H18C22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	8.54
IP(EA), eV:	-9.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2F)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations