Geometry & MOs

Info

ID:	344933
PubChem CID:	127268693
Reduced:	ClNSO5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	-147.43
Dipole, Da:	6.64
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=CC=CC3=C2OCCO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations