Geometry & MOs

Info

ID:	250995
PubChem CID:	103100680
Reduced:	ClO2S2N4C7H9 (1)
Stoich.:	AB2C2D4E7F9 (1)
Weight, g/mol:	341.007776
ΔH_f, kcal/mol:	15.47
Dipole, Da:	4.67
IP(EA), eV:	-9.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroethyl)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCCN=[N+]=[N-])Cl

DOS

IR

Vibrations