Geometry & MOs

Info

ID:	355214
PubChem CID:	127288146
Reduced:	SO4N5C14H25 (1)
Stoich.:	AB4C5D14E25 (1)
Weight, g/mol:	345.147075
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	3.44
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations