Geometry & MOs

Info

ID:	237156
PubChem CID:	92717680
Reduced:	ClOSN4H15C20 (1)
Stoich.:	ABCD4E15F20 (1)
Weight, g/mol:	378.09506
ΔH_f, kcal/mol:	80.02
Dipole, Da:	5.49
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(1,3-benzothiazol-2-yl)-4-(4-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=CC=C(C=C5)Cl

DOS

IR

Vibrations