Geometry & MOs

Info

ID:	70033
PubChem CID:	47206998
Reduced:	SN3O4C11H19 (1)
Stoich.:	AB3C4D11E19 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	5.46
IP(EA), eV:	-10.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanone

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CS(=O)(=O)CC1=NC(=NO1)C

DOS

IR

Vibrations