Geometry & MOs

Info

ID:	140238
PubChem CID:	52668671
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	413.160023
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	4.88
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-2-yl)-1,3-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations