Geometry & MOs

Info

ID:

849

PubChem CID:

3432

Reduced:

NO14C34H59 (1)

Stoich.:

AB14C34D59 (1)

Weight, g/mol:

705.393556

ΔHf, kcal/mol:

-739.76

Dipole, Da:

8.59

IP(EA), eV:

 -9.84(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations