Geometry & MOs

Info

ID:	358753
PubChem CID:	127296580
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	235.124215
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	5.58
IP(EA), eV:	-9.7(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-propoxyazepane

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)N2CCCC2

DOS

IR

Vibrations