Geometry & MOs

Info

ID:	237145
PubChem CID:	92717651
Reduced:	OS2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	88.93
Dipole, Da:	5.34
IP(EA), eV:	-8.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(1,3-benzothiazol-2-yl)-4-(2-ethoxyphenyl)-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)SC

DOS

IR

Vibrations