Geometry & MOs

Info

ID:	122615
PubChem CID:	50815114
Reduced:	OSN5H15C19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	439.01024
ΔH_f, kcal/mol:	100.38
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-pyridin-4-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=C4S3)C5=CN=CC=C5

DOS

IR

Vibrations