Geometry & MOs

Info

ID:	338463
PubChem CID:	127259155
Reduced:	ClNO4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	256.991342
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	2.69
IP(EA), eV:	-9.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=NOC2=C1C=C(C=C2)Cl

DOS

IR

Vibrations