Geometry & MOs

Info

ID:	122625
PubChem CID:	50815298
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	6.11
IP(EA), eV:	-8.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-4-propan-2-yloxyphenyl)-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

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

DOS

IR

Vibrations