Geometry & MOs

Info

ID:

181936

PubChem CID:

76816141

Reduced:

ON2C54H54 (1)

Stoich.:

AB2C54D54 (1)

Weight, g/mol:

552.15677

ΔHf, kcal/mol:

252.28

Dipole, Da:

1.08

IP(EA), eV:

 -7.86(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[2-[3-[(2-aminooxyacetyl)amino]propoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC=CC(=CC)N(C1=CC=C(C=C1)C(=CC)C=CCN(C=CC=CC=C)C2=CC=CC=C2)C(=C)C=CC(=C)C(=C)C=CC(=C)C(=C)C3=C(C4=CC=CC=C4O3)C=C

DOS

IR

Vibrations