Geometry & MOs

Info

ID:	201421
PubChem CID:	79538255
Reduced:	NO5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	366.99115
ΔH_f, kcal/mol:	-258.94
Dipole, Da:	10.99
IP(EA), eV:	-10.15(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(CNC(=O)CC1(CCCCC1)C(=O)O)OCC

DOS

IR

Vibrations