Geometry & MOs

Info

ID:	164882
PubChem CID:	74466299
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	408.232088
ΔH_f, kcal/mol:	50.54
Dipole, Da:	6.33
IP(EA), eV:	-8.7(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations