Geometry & MOs

Info

ID:	237165
PubChem CID:	92717727
Reduced:	ClFOSN4H14C20 (1)
Stoich.:	ABCDE4F14G20 (1)
Weight, g/mol:	412.056088
ΔH_f, kcal/mol:	35.39
Dipole, Da:	7.06
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-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=C2[C@@H](CC(=O)N=C2N(N1)C3=NC4=CC=CC=C4S3)C5=C(C=CC=C5Cl)F

DOS

IR

Vibrations