Geometry & MOs

Info

ID:	344884
PubChem CID:	127268644
Reduced:	NS2O3C11H21 (1)
Stoich.:	AB2C3D11E21 (1)
Weight, g/mol:	265.080636
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	3.39
IP(EA), eV:	-8.63(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxolan-2-ylmethylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)N2CCCSCC2

DOS

IR

Vibrations