Geometry & MOs

Info

ID:	238160
PubChem CID:	92729745
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	4.76
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-methyl-1-[3-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@@H](C3)C(=O)NC

DOS

IR

Vibrations