Geometry & MOs

Info

ID:	122624
PubChem CID:	50815272
Reduced:	SO3N4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	476.188212
ΔH_f, kcal/mol:	18.17
Dipole, Da:	8.01
IP(EA), eV:	-8.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)N3C4=NC(=O)CC(C4=C(N3)C)C5=CC=C(C=C5)OCC=C

DOS

IR

Vibrations