Geometry & MOs

Info

ID:	368476
PubChem CID:	127329069
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	4.68
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-(oxan-4-yloxy)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)COC3CCOCC3

DOS

IR

Vibrations