Geometry & MOs

Info

ID:	122619
PubChem CID:	50815118
Reduced:	SF2O2N4H16C21 (1)
Stoich.:	AB2C2D4E16F21 (1)
Weight, g/mol:	489.9666
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	5.42
IP(EA), eV:	-8.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-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=C2C(CC(=O)N=C2N(N1)C3=NC4=C(S3)C=C(C=C4)OC)C5=C(C(=CC=C5)F)F

DOS

IR

Vibrations