Geometry & MOs

Info

ID:	349874
PubChem CID:	127276480
Reduced:	SO3N6C17H22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	2.4
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCC3C(=O)N4CCSCC4

DOS

IR

Vibrations