Geometry & MOs

Info

ID:	361814
PubChem CID:	127304720
Reduced:	SN2O4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-206.31
Dipole, Da:	7.25
IP(EA), eV:	-9.75(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations