Geometry & MOs

Info

ID:	344703
PubChem CID:	127268291
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-132.93
Dipole, Da:	5.53
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(oxan-2-ylmethylsulfonyl)piperidine

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations