Geometry & MOs

Info

ID:	229896
PubChem CID:	87569461
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	549.034859
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	2.56
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-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

CC1(COC1)COCCCCCCOC2=CC=C(C=C2)C=O

DOS

IR

Vibrations