Geometry & MOs

Info

ID:

848

PubChem CID:

3431

Reduced:

NO15C34H59 (1)

Stoich.:

AB15C34D59 (1)

Weight, g/mol:

721.38847

ΔHf, kcal/mol:

-780.48

Dipole, Da:

5.82

IP(EA), eV:

 -9.44(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

Drug info:

PubChemData

Smile

CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

DOS

IR

Vibrations