Geometry & MOs

Info

ID:	154953
PubChem CID:	56314510
Reduced:	S2N3O3C17H29 (1)
Stoich.:	A2B3C3D17E29 (1)
Weight, g/mol:	399.199191
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	3.68
IP(EA), eV:	-8.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1-butylpiperidin-2-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCCCN1CCCCC1CNC(=O)CN(C)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations