Geometry & MOs

Info

ID:	158708
PubChem CID:	56465163
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	436.168145
ΔH_f, kcal/mol:	-13.22
Dipole, Da:	7.54
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations