Geometry & MOs

Info

ID:	360954
PubChem CID:	127301785
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	259.124215
ΔH_f, kcal/mol:	-58.86
Dipole, Da:	6.45
IP(EA), eV:	-9.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations