Geometry & MOs

Info

ID:	223947
PubChem CID:	85336247
Reduced:	FNOC11H11 (2)
Stoich.:	ABCD11E11 (2)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	3.18
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-1-[5-[2-(methylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

COC1(CN2CCC1CC2)C#CC(C3=CC=C(C=C3)F)(C4=C(N=CC=C4)F)O

DOS

IR

Vibrations