Geometry & MOs

Info

ID:

222975

PubChem CID:

85333608

Reduced:

N7O8C40H57 (1)

Stoich.:

A7B8C40D57 (1)

Weight, g/mol:

763.448175

ΔHf, kcal/mol:

-355.98

Dipole, Da:

3.95

IP(EA), eV:

 -8.32(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-di(nonyl)naphthalene-2-sulfonic acid;methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC3=CC=CC=C3)N

DOS

IR

Vibrations