Geometry & MOs

Info

ID:	238116
PubChem CID:	92729700
Reduced:	FSN3O4C23H28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	461.178456
ΔH_f, kcal/mol:	-187.08
Dipole, Da:	3.3
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations