Geometry & MOs

Info

ID:	158193
PubChem CID:	56463137
Reduced:	SCl2N2O4C16H18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	3.88
IP(EA), eV:	-9.56(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CCC1=NC=C(O1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations