Geometry & MOs

Info

ID:	350554
PubChem CID:	127278522
Reduced:	ClN2S2O3C14H19 (1)
Stoich.:	AB2C2D3E14F19 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	5.26
IP(EA), eV:	-9.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclobutylpyrrolidin-1-yl)-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)CNS(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations