Geometry & MOs

Info

ID:	142700
PubChem CID:	53078557
Reduced:	SN2F3O4C13H15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	466.170848
ΔH_f, kcal/mol:	-228.56
Dipole, Da:	2.75
IP(EA), eV:	-10.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CCNS(=O)(=O)C1=CC=C(O1)C2=NOC(=C2)C(F)(F)F

DOS

IR

Vibrations