Geometry & MOs

Info

ID:	133658
PubChem CID:	51570700
Reduced:	OSN6C20H24 (1)
Stoich.:	ABC6D20E24 (1)
Weight, g/mol:	396.173231
ΔH_f, kcal/mol:	95.99
Dipole, Da:	6.02
IP(EA), eV:	-8.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,6-dicyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC(=N2)C3CC3)C4=NNC(=S)N4C[C@@H]5CCCO5)C(=N1)C6CC6

DOS

IR

Vibrations