Geometry & MOs

Info

ID:	128633
PubChem CID:	51052690
Reduced:	FSN2O3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	6.02
IP(EA), eV:	-9.8(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-tert-butyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)F)C(=O)NCC(=O)O

DOS

IR

Vibrations