Geometry & MOs

Info

ID:	274676
PubChem CID:	103810969
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	264.114378
ΔH_f, kcal/mol:	-142.04
Dipole, Da:	3.4
IP(EA), eV:	-9.5(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(2-methoxyethylamino)ethanone

Drug info:

PubChemData

Smile

C1CC(NC1)CC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations