Geometry & MOs

Info

ID:	158151
PubChem CID:	56463069
Reduced:	S2O3N5C23H25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	491.199111
ΔH_f, kcal/mol:	-11.77
Dipole, Da:	5.09
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N(C)C(C)C4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations