Geometry & MOs

Info

ID:	227976
PubChem CID:	87563158
Reduced:	ClON3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	281.072179
ΔH_f, kcal/mol:	63.27
Dipole, Da:	10.08
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-oxazol-4-yl)ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C3C=CN=C(C3=C2)CCO)C4=CC=C(C=C4)C[NH3+].[Cl-]

DOS

IR

Vibrations