Geometry & MOs

Info

ID:	238134
PubChem CID:	92729719
Reduced:	ClSN3O4C23H28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-149.09
Dipole, Da:	2.66
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-butyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)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)Cl

DOS

IR

Vibrations