Geometry & MOs

Info

ID:	240600
PubChem CID:	93616689
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	2.9
IP(EA), eV:	-9.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-N-(4-acetamido-3-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC1=CC=CC=C1S(=O)(=O)C

DOS

IR

Vibrations