Geometry & MOs

Info

ID:	65411
PubChem CID:	29214878
Reduced:	SO2F3N10C15H21 (1)
Stoich.:	AB2C3D10E15F21 (1)
Weight, g/mol:	407.190558
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	10.75
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NNC(=O)C(F)(F)F

DOS

IR

Vibrations