Geometry & MOs

Info

ID:	360936
PubChem CID:	127301767
Reduced:	NSF3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	-318.3
Dipole, Da:	1.91
IP(EA), eV:	-10.02(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations