Geometry & MOs

Info

ID:	122589
PubChem CID:	50813639
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	8.33
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations