Geometry & MOs

Info

ID:	122614
PubChem CID:	50815080
Reduced:	ClFON5H15C20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	361.099731
ΔH_f, kcal/mol:	36.99
Dipole, Da:	6.05
IP(EA), eV:	-8.81(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-3-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3=NC4=CC=CC=C4N3)C5=C(C=CC=C5Cl)F

DOS

IR

Vibrations