Geometry & MOs

Info

ID:	149525
PubChem CID:	53789198
Reduced:	SN2O2F9C10H13 (1)
Stoich.:	AB2C2D9E10F13 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-540.46
Dipole, Da:	7.85
IP(EA), eV:	-10.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(cyclopentyloxymethoxy)phenyl]-4-phenylbut-3-ynyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)(N)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations