Geometry & MOs

Info

ID:	137749
PubChem CID:	52256954
Reduced:	ClSO3N5C17H22 (1)
Stoich.:	ABC3D5E17F22 (1)
Weight, g/mol:	411.113188
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	4.91
IP(EA), eV:	-9.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=CN1C)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations