Geometry & MOs

Info

ID:	190947
PubChem CID:	78082964
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	8.97
IP(EA), eV:	-9.53(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropyl)-N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C2C1CS(=O)(=O)C2)C(=O)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations