Geometry & MOs

Info

ID:	369048
PubChem CID:	127331170
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	7.36
IP(EA), eV:	-9.28(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfonylpiperidin-4-yl)-3-ethylmorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)NC2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations