Geometry & MOs

Info

ID:	237142
PubChem CID:	92717635
Reduced:	OSN4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	79.83
Dipole, Da:	6.34
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]2CC(=O)N=C3C2=C(NN3C4=NC5=CC=CC=C5S4)C

DOS

IR

Vibrations