Geometry & MOs

Info

ID:	368486
PubChem CID:	127329104
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	1.43
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-4-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2N(C1)C(=O)COC3CCOCC3)C(=O)N

DOS

IR

Vibrations