Geometry & MOs

Info

ID:	238144
PubChem CID:	92729729
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	499.250478
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	8.07
IP(EA), eV:	-9.16(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-butyl-1-[3-[(4-tert-butylphenyl)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=CC=CC=C3C

DOS

IR

Vibrations