Geometry & MOs

Info

ID:	158195
PubChem CID:	56463140
Reduced:	ClS2N3O3C17H18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	3.72
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations