Geometry & MOs

Info

ID:	65462
PubChem CID:	38671707
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	5.13
IP(EA), eV:	-8.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyano-4-methylcyclohexyl)-methylamino]-1-oxopropan-2-yl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

DOS

IR

Vibrations