Geometry & MOs

Info

ID:	361782
PubChem CID:	127304629
Reduced:	FSN2O4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	399.127107
ΔH_f, kcal/mol:	-211.55
Dipole, Da:	6.2
IP(EA), eV:	-9.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-cyclohexylphenoxy)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)F)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations