Geometry & MOs

Info

ID:

222948

PubChem CID:

85333440

Reduced:

ClN5O6C38H46 (1)

Stoich.:

AB5C6D38E46 (1)

Weight, g/mol:

706.444469

ΔHf, kcal/mol:

-228.91

Dipole, Da:

13.42

IP(EA), eV:

 -9.1(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,6-dimethoxy-4-(6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl)phenyl] docosanoate

Drug info:

PubChemData

Smile

CCCC(=O)N1C(C(=O)N(C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)CC(C(=O)O)NC(C4(CCCC4)CCNC(=O)C)O)CC5=CN=CC=C5

DOS

IR

Vibrations