Geometry & MOs

Info

ID:	238169
PubChem CID:	92729754
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-179.57
Dipole, Da:	7.87
IP(EA), eV:	-9.29(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations