Geometry & MOs

Info

ID:	345069
PubChem CID:	127268829
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	235.124215
ΔH_f, kcal/mol:	-156.66
Dipole, Da:	3.74
IP(EA), eV:	-9.45(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethylsulfonyl)-4-methylazepane

Drug info:

PubChemData

Smile

CC1CCCN(CC1)S(=O)(=O)CC2CCCO2

DOS

IR

Vibrations