Geometry & MOs

Info

ID:	337971
PubChem CID:	127258594
Reduced:	Cl2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	334.116486
ΔH_f, kcal/mol:	-184.31
Dipole, Da:	5.01
IP(EA), eV:	-10.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,1,3-benzoxadiazol-4-yl)-2-ethyl-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(COC(=O)CCC)Cl)Cl

DOS

IR

Vibrations