Geometry & MOs

Info

ID:	361781
PubChem CID:	127304628
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	396.151907
ΔH_f, kcal/mol:	-154.96
Dipole, Da:	3.7
IP(EA), eV:	-9.88(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,1-dioxo-1,4-thiazepane-4-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations