Geometry & MOs

Info

ID:	367764
PubChem CID:	127325737
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	8.66
IP(EA), eV:	-9.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]-1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCC2)NC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations