Geometry & MOs

Info

ID:	246824
PubChem CID:	103065042
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	5.99
IP(EA), eV:	-8.81(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(thiolan-3-yl)-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CCCC1C(=O)N(CCC(=O)N1)C2CCSC2

DOS

IR

Vibrations