Geometry & MOs

Info

ID:	344886
PubChem CID:	127268646
Reduced:	NO2S2C12H23 (1)
Stoich.:	AB2C2D12E23 (1)
Weight, g/mol:	239.064986
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	4.38
IP(EA), eV:	-8.62(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N2CCCSCC2

DOS

IR

Vibrations