Geometry & MOs

Info

ID:	158272
PubChem CID:	56463269
Reduced:	ClN2S2O5C16H23 (1)
Stoich.:	AB2C2D5E16F23 (1)
Weight, g/mol:	466.14749
ΔH_f, kcal/mol:	-210.28
Dipole, Da:	10.38
IP(EA), eV:	-9.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations