Geometry & MOs

Info

ID:	229828
PubChem CID:	87569282
Reduced:	OS2F3N4C13H19 (1)
Stoich.:	AB2C3D4E13F19 (1)
Weight, g/mol:	565.089482
ΔH_f, kcal/mol:	-172.76
Dipole, Da:	6.15
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2,2,2-trifluoroethoxy)methyl]naphthalen-1-yl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)N2CCC(CC2)C(=S)N)C(F)(F)F.S

DOS

IR

Vibrations