Geometry & MOs

Info

ID:	141398
PubChem CID:	52874060
Reduced:	SO2F3N5C11H16 (1)
Stoich.:	AB2C3D5E11F16 (1)
Weight, g/mol:	315.100125
ΔH_f, kcal/mol:	-199.68
Dipole, Da:	1.83
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyridine

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CC(=N2)C(F)(F)F)CNS(=O)(=O)N

DOS

IR

Vibrations