Geometry & MOs

Info

ID:	138404
PubChem CID:	52360966
Reduced:	ClFOSN2C17H21 (1)
Stoich.:	ABCDE2F17G21 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	3.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759605
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(benzenesulfonyl)-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)[NH+](C)CC(=O)N(C)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations