Geometry & MOs

Info

ID:	237140
PubChem CID:	92717624
Reduced:	O2N5C29H31 (1)
Stoich.:	A2B5C29D31 (1)
Weight, g/mol:	360.104482
ΔH_f, kcal/mol:	23.61
Dipole, Da:	1.87
IP(EA), eV:	-8.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-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(C3=C2C(=NN3C4=NC(=CC(=N4)C)C)C)CC5=CC=CC=C5C

DOS

IR

Vibrations