Geometry & MOs

Info

ID:	40948
PubChem CID:	8145004
Reduced:	ClN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	366.197714
ΔH_f, kcal/mol:	-176.68
Dipole, Da:	2.3
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentylbenzamide

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CN2CCC(CC2)C(=O)OCC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations