Geometry & MOs

Info

ID:	238147
PubChem CID:	92729732
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-171.08
Dipole, Da:	9.42
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations