Geometry & MOs

Info

ID:	243313
PubChem CID:	99218285
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	443.199111
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	3.5
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC3=CC=CC=C3S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations