Geometry & MOs

Info

ID:	232222
PubChem CID:	87575743
Reduced:	ClF2S2N3O4C28H28 (1)
Stoich.:	AB2C2D3E4F28G28 (1)
Weight, g/mol:	330.111676
ΔH_f, kcal/mol:	-178.9
Dipole, Da:	3.06
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-6-(4-phenylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)OC)C2=CN=C(N2C3=CC=C(C=C3)F)SCC4=C(C=C(C=C4)NCCS(=O)(=O)O)F

DOS

IR

Vibrations