Geometry & MOs

Info

ID:	228018
PubChem CID:	87563234
Reduced:	ClO2H5N6C7 (1)
Stoich.:	AB2C5D6E7 (1)
Weight, g/mol:	393.085778
ΔH_f, kcal/mol:	44.08
Dipole, Da:	3.21
IP(EA), eV:	-10.46(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-propoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)Cl)C2=NN(N=N2)CC(=O)O

DOS

IR

Vibrations