Geometry & MOs

Info

ID:	229595
PubChem CID:	87568108
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	533.06441
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	5.94
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC1=CC=CC=C1C=O)Cl

DOS

IR

Vibrations