Geometry & MOs

Info

ID:	282890
PubChem CID:	103944052
Reduced:	ClFSN2O2H10C12 (1)
Stoich.:	ABCD2E2F10G12 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	5.74
IP(EA), eV:	-10.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=CC(=NC=C2)Cl

DOS

IR

Vibrations