Geometry & MOs

Info

ID:	238145
PubChem CID:	92729730
Reduced:	SN3O4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	499.250478
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	10.42
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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=C(C=C3)C(C)(C)C

DOS

IR

Vibrations