Geometry & MOs

Info

ID:	278286
PubChem CID:	103834605
Reduced:	BrClNS2O3C11H15 (1)
Stoich.:	ABCD2E3F11G15 (1)
Weight, g/mol:	273.114713
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	2.74
IP(EA), eV:	-9.55(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)C2=CC(=C(S2)Br)Cl)O

DOS

IR

Vibrations