Geometry & MOs

Info

ID:

166663

PubChem CID:

74723095

Reduced:

Cl2N2O4H23C24 (1)

Stoich.:

A2B2C4D23E24 (1)

Weight, g/mol:

452.119286

ΔHf, kcal/mol:

-83.43

Dipole, Da:

6.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765693

Charge, e:

 -1

Chem-info

IUPAC name:

3-(2,3,4,5-tetraacetyloxypentanoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=C(C=C(C=C4)Cl)Cl)[O-]

DOS

IR

Vibrations