Geometry & MOs

Info

ID:	237164
PubChem CID:	92717716
Reduced:	SO2N4H24C28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	412.056088
ΔH_f, kcal/mol:	64.39
Dipole, Da:	8.51
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H]3CC(=O)N=C4C3=C(NN4C5=NC6=CC=CC=C6S5)C

DOS

IR

Vibrations