Geometry & MOs

Info

ID:	237144
PubChem CID:	92717650
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	406.092204
ΔH_f, kcal/mol:	42.02
Dipole, Da:	8.37
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(4-methylsulfanylphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H]2CC(=O)N=C3C2=C(NN3C4=NC5=CC=CC=C5S4)C

DOS

IR

Vibrations