Geometry & MOs

Info

ID:	238058
PubChem CID:	92729642
Reduced:	FSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	445.147156
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	7.62
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations