Geometry & MOs

Info

ID:	140702
PubChem CID:	52742389
Reduced:	SO2N3C21H33 (1)
Stoich.:	AB2C3D21E33 (1)
Weight, g/mol:	476.153656
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	5.87
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(benzenesulfonyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(C)(C)CNC(=O)CSCC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations