Geometry & MOs

Info

ID:	243712
PubChem CID:	99234226
Reduced:	SN2O3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	406.238706
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	4.48
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations