Geometry & MOs

Info

ID:	244210
PubChem CID:	99319390
Reduced:	SF2N4O4C22H26 (1)
Stoich.:	AB2C4D4E22F26 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-210.77
Dipole, Da:	8.83
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]piperidin-4-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations