Geometry & MOs

Info

ID:	122627
PubChem CID:	50815300
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	430.146347
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	8.16
IP(EA), eV:	-8.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2CC(=O)N=C3C2=C(NN3C4=NC5=C(S4)C=C(C=C5)OC)C

DOS

IR

Vibrations