Geometry & MOs

Info

ID:	39169
PubChem CID:	8139855
Reduced:	FSN3O5H16C18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	6.97
IP(EA), eV:	-9.54(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)C3=CC(=CC=C3)S(=O)(=O)NC

DOS

IR

Vibrations