Geometry & MOs

Info

ID:	21166
PubChem CID:	587401
Reduced:	NCl2O4H9C15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	336.990863
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	3.32
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OCN2C3=C(C=C(C=C3)Cl)OC2=O)Cl

DOS

IR

Vibrations