Geometry & MOs

Info

ID:	237141
PubChem CID:	92717633
Reduced:	OSN4H16C20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	374.120132
ΔH_f, kcal/mol:	90.35
Dipole, Da:	6.59
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(3-methylphenyl)-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

DOS

IR

Vibrations