Geometry & MOs

Info

ID:	338462
PubChem CID:	127259154
Reduced:	FSN2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	255.029835
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	6.38
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1(CCCC1)SC2=C(C=C(C(=C2)N)F)[N+](=O)[O-]

DOS

IR

Vibrations