Geometry & MOs

Info

ID:	122626
PubChem CID:	50815299
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	7.72
IP(EA), eV:	-8.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)N3C4=NC(=O)CC(C4=C(N3)C)C5=CC(=C(C=C5)OC(C)C)OC

DOS

IR

Vibrations