Geometry & MOs

Info

ID:	296697
PubChem CID:	117588957
Reduced:	KNS2O5C6H12 (1)
Stoich.:	ABC2D5E6F12 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-279.66
Dipole, Da:	3.13
IP(EA), eV:	-9.03(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NCCS(=O)(=O)[O-].[K+]

DOS

IR

Vibrations