Geometry & MOs

Info

ID:	156658
PubChem CID:	56371562
Reduced:	BrNSO5C21H26 (1)
Stoich.:	ABCD5E21F26 (1)
Weight, g/mol:	466.250144
ΔH_f, kcal/mol:	-162.54
Dipole, Da:	8.9
IP(EA), eV:	-8.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C(C)(C)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations