Geometry & MOs

Info

ID:	343620
PubChem CID:	127266796
Reduced:	Cl2N3O4C16H17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	441.167554
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	4.17
IP(EA), eV:	-10.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2-fluoro-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)C2(CCOCC2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations