Geometry & MOs

Info

ID:	229837
PubChem CID:	87569333
Reduced:	ClNOSC10H16 (1)
Stoich.:	ABCDE10F16 (1)
Weight, g/mol:	566.084731
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	2.93
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2,2,2-trifluoroethoxy)methyl]quinolin-5-yl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

CCCCCC1=C(N(C(S1)C)Cl)C=O

DOS

IR

Vibrations