Geometry & MOs

Info

ID:	144727
PubChem CID:	53403246
Reduced:	ClSO5H7C10 (1)
Stoich.:	ABC5D7E10 (1)
Weight, g/mol:	329.087492
ΔH_f, kcal/mol:	-156.17
Dipole, Da:	7.86
IP(EA), eV:	-10.32(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=CC(=C1)S(=O)(=O)Cl)C=CO2

DOS

IR

Vibrations