Geometry & MOs

Info

ID:	371025
PubChem CID:	127341849
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	4.18
IP(EA), eV:	-9.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylfuran-2-yl)-1-methylsulfonylazepane

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations