Geometry & MOs

Info

ID:	355204
PubChem CID:	127288136
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	302.141262
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	2.24
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNS(=O)(=O)N2CCC(CC2)C

DOS

IR

Vibrations