Geometry & MOs

Info

ID:	274668
PubChem CID:	103810939
Reduced:	SN2O3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	248.119464
ΔH_f, kcal/mol:	-143.88
Dipole, Da:	7.48
IP(EA), eV:	-9.8(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations