Geometry & MOs

Info

ID:	237162
PubChem CID:	92717698
Reduced:	OSF2N4H14C20 (1)
Stoich.:	ABC2D4E14F20 (1)
Weight, g/mol:	388.135782
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	5.37
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-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=CC(=CC(=C5)F)F

DOS

IR

Vibrations