Geometry & MOs

Info

ID:	278285
PubChem CID:	103834594
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	386.93653
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	5.19
IP(EA), eV:	-9.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(C)O

DOS

IR

Vibrations