Geometry & MOs

Info

ID:	305944
PubChem CID:	124975227
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	520.179871
ΔH_f, kcal/mol:	14.58
Dipole, Da:	5.98
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=CC(=C2)[C@@H]3CCCN3CC(=O)N

DOS

IR

Vibrations