Geometry & MOs

Info

ID:	242660
PubChem CID:	97857776
Reduced:	FNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	3.58
IP(EA), eV:	-9.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(1,3-thiazol-2-yl)ethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@@H](CCO2)NC(=O)C3=C(C=C(C=C3)O)F

DOS

IR

Vibrations