Geometry & MOs

Info

ID:	238076
PubChem CID:	92729660
Reduced:	ClSN3O5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	493.14382
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	6.28
IP(EA), eV:	-9.47(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-chlorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations